CHEBI:227235 - Mohangic acid B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Mohangic acid B
ChEBI ID CHEBI:227235
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H39NO6
Net Charge 0
Average Mass 473.610
Monoisotopic Mass 473.27774
InChI InChI=1S/C27H39NO6/c1-18(9-7-5-6-8-10-23(29)16-26(32)33)27(34)20(3)15-19(2)24(30)17-25(31)21-11-13-22(28-4)14-12-21/h5-14,18-20,23-24,27-30,34H,15-17H2,1-4H3,(H,32,33)/b6-5+,9-7+,10-8+/t18-,19-,20-,23+,24-,27-/m1/s1
InChIKey WUYVILXSKDFPJZ-VZFGNGLPSA-N
SMILES O=C(O)C[C@@H](O)/C=C/C=C/C=C/[C@H]([C@@H](O)[C@@H](C[C@H]([C@H](O)CC(=O)C1=CC=C(NC)C=C1)C)C)C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) 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 Mohangic acid B (CHEBI:227235) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name
(3R,4E,6E,8E,10R,11S,12R,14R,15R)-3,11,15-trihydroxy-10,12,14-trimethyl-17-[4-(methylamino)phenyl]-17-oxoheptadeca-4,6,8-trienoic acid
Manual Xref Database
58196544 ChemSpider
View more database links