CHEBI:230573 - lmst01010143

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name lmst01010143
ChEBI ID CHEBI:230573
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H48O
Net Charge 0
Average Mass 412.702
Monoisotopic Mass 412.37052
InChI InChI=1S/C29H48O/c1-19(2)9-8-10-20(3)22-13-17-29(7)25-12-11-23-21(4)26(30)15-16-27(23,5)24(25)14-18-28(22,29)6/h9,20-23,26,30H,8,10-18H2,1-7H3/t20?,21?,22?,23?,26-,27-,28+,29?/m0/s1
InChIKey KLZWTHGLLDRKHD-PJWAZMQOSA-N
SMILES O[C@@H]1C(C2[C@@](C3=C(C4([C@@](C(CC4)C(CCC=C(C)C)C)(CC3)C)C)CC2)(CC1)C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing lmst01010143 (CHEBI:230573) is a organic molecular entity (CHEBI:50860)
IUPAC Name
(3S,10S,13R)-4,10,13,14-tetramethyl-17-(6-methylhept-5-en-2-yl)-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
Manual Xrefs Databases
24823279 ChemSpider
LMST01010143 LIPID MAPS
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