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CHEBI:212435 - Elfvingic acid C

ChEBI IDCHEBI:212435
ChEBI NameElfvingic acid C
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SubmitterMetaboLights
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FormulaC30H42O8
Net Charge0
Average Mass530.658
Monoisotopic Mass530.28797
SMILESCC(CC(=O)CC(C)(O)C1=C[C@@H](O)[C@]2(C)[C@]1(C)C(=O)C=C1[C@]23O[C@H]3CC2C(C)(C)[C@@H](O)CC[C@]12C)C(=O)O
InChIInChI=1S/C30H42O8/c1-15(24(35)36)10-16(31)14-27(5,37)19-12-22(34)29(7)28(19,6)21(33)11-18-26(4)9-8-20(32)25(2,3)17(26)13-23-30(18,29)38-23/h11-12,15,17,20,22-23,32,34,37H,8-10,13-14H2,1-7H3,(H,35,36)/t15?,17?,20-,22+,23-,26-,27?,28-,29+,30+/m0/s1
InChIKeyAJWHGXHFEQATTC-XEIJISSBSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Elfvingic acid C (CHEBI:212435) is a bile acid (CHEBI:3098)
IUPAC Name 
6-[(1S,3S,7S,10S,14R,17R,18S)-7,17-dihydroxy-6,6,10,14,18-pentamethyl-13-oxo-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadeca-11,15-dien-15-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid
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