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CHEBI:177277 - 4a-Methylzymosterol-4-carboxylic acid

Default Structure
ChEBI IDCHEBI:177277
ChEBI Name4a-Methylzymosterol-4-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H46O3
Net Charge0
Average Mass442.684
Monoisotopic Mass442.34470
SMILESCC(C)=CCC[C@H](C)C1CCC2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@](C)(C(=O)O)C1CC3
InChIInChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h8,19,21-22,24-25,30H,7,9-17H2,1-6H3,(H,31,32)/t19-,21?,22?,24?,25-,27+,28+,29-/m0/s1
InChIKeyMYWAIWDQTCHPTH-IUGQOUSLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) liver (BTO:0000759) Article Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
4a-Methylzymosterol-4-carboxylic acid (CHEBI:177277) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(3S,4S,10S,13R)-3-hydroxy-4,10,13-trimethyl-17-[(2S)-6-methylhept-5-en-2-yl]-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-4-carboxylic acid
Manual XrefsDatabases
C15808KEGG COMPOUND
CPD-4577MetaCyc
HMDB0006927HMDB