Compound Identification
SMILES
[H][C@]1(CC[C@]2([H])[C@]3([H])CC=C4C[C@@]([H])(CC[C@]4(C)[C@]3([H])C[C@]([H])(OC(=O)C=C(C)C)[C@@]12C)O[C@@]1([H])O[C@@]([H])(COS(O)(=O)=O)[C@]([H])(O[C@@]2([H])O[C@@]([H])(C)[C@]([H])(O[C@@]3([H])C[C@@]([H])(OC)[C@]([H])(O[C@@]4([H])C[C@@]([H])(OC)[C@]([H])(O)[C@@]([H])(C)O4)[C@@]([H])(C)O3)[C@@]([H])(OC)[C@]2([H])O)[C@@]([H])(O)[C@]1([H])O)C(C)=O
InChIKey
InChIKey=BMJHLFXNCNDEDW-UYRXKJIUSA-N
Formula
C53H84O22S
Mass
1105.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
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Subclass
Carbohydrates and carbohydrate conjugates
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Level 5
Oligosaccharides
- Level 6 Oligosaccharide sulfates
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Level 5
Oligosaccharides
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Subclass
Carbohydrates and carbohydrate conjugates
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes
Oligosaccharides
Direct Parent
Oligosaccharide sulfates
Alternative Parents
Steroidal glycosides 20-oxosteroids Steroid esters Pregnane steroids Delta-5-steroids O-glycosyl compounds Sulfuric acid monoesters Alkyl sulfates Oxanes Enoate esters Ketones Secondary alcohols Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Oligosaccharide sulfate - Steroidal glycoside - 20-oxosteroid - Steroid ester - Pregnane-skeleton - Oxosteroid - Delta-5-steroid - Steroid - Glycosyl compound - O-glycosyl compound - Oxane - Sulfuric acid ester - Alkyl sulfate - Sulfuric acid monoester - Sulfate-ester - Enoate ester - Organic sulfuric acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Ketone - Carboxylic acid ester - Secondary alcohol - Acetal - Oxacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as oligosaccharide sulfates. These are carbohydrates containing between 3 and 9 sugar units, one of which bear one or more sulfate groups.
External Descriptors
Not available