Compound Identification
SMILES
C[C@H]([C@@H](CCC(C)(C)O)OP(O)(O)=O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
InChIKey=AOKIBCRWTSJHIE-XNSSJAPWSA-N
Formula
C27H45O8P
Mass
528.623
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Bile acids, alcohols and derivatives
Intermediate Tree Nodes
Hydroxy bile acids, alcohols and derivatives
Direct Parent
Trihydroxy bile acids, alcohols and derivatives
Alternative Parents
Cholesterols and derivatives Ecdysteroids 6-oxosteroids 3-hydroxy delta-7-steroids 3-beta-hydroxysteroids 14-hydroxysteroids Delta-7-steroids Monoalkyl phosphates Cyclohexenones Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cholesterol - Cholesterol-skeleton - Cholestane-skeleton - Ecdysteroid - Trihydroxy bile acid, alcohol, or derivatives - 25-hydroxysteroid - 3-hydroxy-delta-7-steroid - 3-hydroxysteroid - 6-oxosteroid - 3-beta-hydroxysteroid - 14-hydroxysteroid - Oxosteroid - Hydroxysteroid - Delta-7-steroid - Cyclohexenone - Monoalkyl phosphate - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Ketone - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as trihydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups.
External Descriptors
CHEBI:19567 :
ecdysone phosphate
LIPIDMAPS (LMST01010183) :
Cholesterol and derivatives