Mohangic acid B (CHEBI:227235)

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CHEBI:227235 - Mohangic acid B

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ChEBI ID	CHEBI:227235
ChEBI Name	Mohangic acid B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H39NO6
Net Charge	0
Average Mass	473.610
Monoisotopic Mass	473.27774
SMILES	CNc1ccc(C(=O)C[C@@H](O)[C@H](C)C[C@@H](C)[C@H](O)[C@H](C)/C=C/C=C/C=C/[C@H](O)CC(=O)O)cc1
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

Species of Metabolite	Component	Source	Comments
Streptomycesspecies (ncbitaxon:1931)	-	PubMed (26798949)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	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 Xrefs	Databases
58196544	ChemSpider