Compound Identification
SMILES
CC(C)=CCCC(C)=CCOP(O)(=O)OP(O)(=O)ONCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(O)(=O)OP(O)(=O)ON[O]=C1OC(CO)C(O)C(O)C1ON[O]=P(O)(O)OCC1OC(OP(O)(O)=O)C(O)C(O)C1ONNC(=O)CCC(N)C(=O)ONNC1C(O)OC(CO)C(O)C1ONNC1C(OP(O)(O)=O)OC(CO)C(O)C1ONCC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12)C(O)C(=O)NCCC(=O)NCCSC(=O)C=CCC(=O)ONNC(CCC(=O)ON[O]=C(O)CCCC(=O)ONCC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCC(=O)ONNC(CCC(=O)NC(CS)C(=O)NCC(O)=O)C(=O)ONNC(CCC(=O)NC(CSS)C(=O)NCC(O)=O)C(=O)ONNC(CCC(=O)NC(CSS([O-])(=O)=O)C(=O)NCC(O)=O)C(=O)ONNC(CCC(=O)NC(CSS(O)(=O)=O)C(=O)NCC(O)=O)C(=O)ONNCCCCNCCCNC(=O)CNC(=O)C(CS)NC(=O)CCC(N)C(=O)ONNCC(=O)ON[O]=CC(O)CON[O]=C(O)C(O)CONOCC(O)CO)C=O
InChIKey
InChIKey=UBSIJDZUNIYDPW-UHFFFAOYSA-M
Formula
C189H328N57O140P13S10
Mass
6362.22
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Fatty Acyls
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Subclass
Fatty acyl thioesters
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Level 5
Acyl CoAs
- Level 6 2,3,4-saturated fatty acyl CoAs
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Level 5
Acyl CoAs
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Subclass
Fatty acyl thioesters
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Class
Fatty Acyls
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Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acyl thioesters
Intermediate Tree Nodes
Acyl CoAs
Direct Parent
2,3,4-saturated fatty acyl CoAs
Alternative Parents
2-enoyl CoAs Coenzyme A and derivatives Hybrid glycopeptides Purine ribonucleoside diphosphates Ribonucleoside 3'-phosphates Pentose phosphates Hexose phosphates Glutamine and derivatives Diterpenoids N-acyl-alpha amino acids Gluconolactones Gamma amino acids and derivatives Cysteine and derivatives Alpha amino acid amides Beta amino acids and derivatives Organic pyrophosphates Isoprenoid phosphates 6-aminopurines Sugar acids and derivatives Monoalkyl phosphates Delta valerolactones Aminopyrimidines and derivatives S-alkyl thiosulfates Oxanes N-substituted imidazoles N-acyl amines Imidolactams Alpha hydroxy acids and derivatives Tetrahydrofurans Heteroaromatic compounds Alpha-hydroxyaldehydes Thioesters Secondary carboxylic acid amides Secondary alcohols Hemiacetals Carboxylic acid salts Carboxylic acid esters Carbothioic S-esters Amino acids Sulfenyl compounds Oxacyclic compounds N-organohydroxylamines Dialkylamines Carboxylic acids Carboximidic acids Azacyclic compounds Alkylthiols Primary alcohols Organopnictogen compounds Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coenzyme a or derivatives - Hybrid peptide - Hybrid glycopeptide - Purine ribonucleoside diphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside 3',5'-bisphosphate - Diterpenoid - Ribonucleoside 3'-phosphate - Pentose-5-phosphate - Pentose phosphate - Hexose phosphate - Glutamine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Cysteine or derivatives - Gluconolactone - Gamma amino acid or derivatives - Alpha-amino acid amide - Beta amino acid or derivatives - Organic pyrophosphate - Isoprenoid phosphate - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - 6-aminopurine - Purine - Imidazopyrimidine - Monoalkyl phosphate - Glyceric_acid - Delta_valerolactone - Delta valerolactone - Aminopyrimidine - Imidolactam - Alkyl phosphate - S-alkyl thiosulfate - Pyrimidine - Phosphoric acid ester - Oxane - Organic phosphoric acid derivative - N-substituted imidazole - N-acyl-amine - Monosaccharide - Hydroxy acid - Fatty amide - Alpha-hydroxy acid - Heteroaromatic compound - Alpha-hydroxyaldehyde - Tetrahydrofuran - Imidazole - Azole - Amino acid - Carbothioic s-ester - Thiocarboxylic acid ester - Secondary carboxylic acid amide - Secondary alcohol - Lactone - Hemiacetal - Carboxylic acid salt - Carboxylic acid ester - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - N-organohydroxylamine - Organoheterocyclic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Secondary amine - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Carboximidic acid - Alkylthiol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Primary amine - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aldehyde - Alcohol - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2,3,4-saturated fatty acyl coas. These are acyl-CoAs carrying a 2,3,4-saturated fatty acyl chain.
External Descriptors
Not available