CHEBI:216389 - Sterepinic acid C

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ChEBI Name Sterepinic acid C
ChEBI ID CHEBI:216389
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C24H38O7
Net Charge 0
Average Mass 438.561
Monoisotopic Mass 438.26175
InChI InChI=1S/C24H38O7/c1-17(2)5-7-21(23(28)29)13-20(16-27)10-12-31-24(30)22(8-6-18(3)4)14-19(15-26)9-11-25/h5-6,13-14,21-22,25-27H,7-12,15-16H2,1-4H3,(H,28,29)/t21-,22-/m0/s1
InChIKey MVXUPPHUWBRKNX-VXKWHMMOSA-N
SMILES O=C(OCCC(=C[C@@H](C(=O)O)CC=C(C)C)CO)[C@H](C=C(CO)CCO)CC=C(C)C
Metabolite of Species Details
Stereum (NCBI:txid5644) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Sterepinic acid C (CHEBI:216389) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name
(2S)-6-[(2S)-6-hydroxy-4-(hydroxymethyl)-2-(3-methylbut-2-enyl)hex-3-enoyl]oxy-4-(hydroxymethyl)-2-(3-methylbut-2-enyl)hex-3-enoic acid