CHEBI:224795 - Campafungin B

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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 Campafungin B
ChEBI ID CHEBI:224795
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H30O4
Net Charge 0
Average Mass 382.500
Monoisotopic Mass 382.21441
InChI InChI=1S/C24H30O4/c1-4-17(3)24(27)20(11-9-7-5-6-8-10-12-21(25)26)18-14-13-16(2)15-19(18)22-23(24)28-22/h4-13,18-20,22-23,27H,14-15H2,1-3H3,(H,25,26)/b7-5+,8-6+,11-9+,12-10+,17-4+/t18-,19-,20+,22+,23+,24-/m1/s1
InChIKey QVAWIGOWYGZSNR-RURWRFGGSA-N
SMILES O=C(O)/C=C/C=C/C=C/C=C/[C@@H]1[C@](O)(/C(=C/C)/C)[C@H]2O[C@H]2[C@H]3[C@H]1CC=C(C3)C
Metabolite of Species Details
Plenodomus enteroleucus (NCBI:txid1077365) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Campafungin B (CHEBI:224795) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name
(2E,4E,6E,8E)-9-[(1aS,2S,3S,3aR,7aR,7bS)-2-[(E)-but-2-en-2-yl]-2-hydroxy-6-methyl-3,3a,4,7,7a,7b-hexahydro-1aH-naphtho[1,2-b]oxiren-3-yl]nona-2,4,6,8-tetraenoic acid