Mohangic acid C (CHEBI:227239)

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CHEBI:227239 - Mohangic acid C

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ChEBI ID	CHEBI:227239
ChEBI Name	Mohangic acid C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H39NO7
Net Charge	0
Average Mass	501.620
Monoisotopic Mass	501.27265
SMILES	CC(=O)Nc1ccc(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/C28H39NO7/c1-18(9-7-5-6-8-10-24(31)16-27(34)35)28(36)20(3)15-19(2)25(32)17-26(33)22-11-13-23(14-12-22)29-21(4)30/h5-14,18-20,24-25,28,31-32,36H,15-17H2,1-4H3,(H,29,30)(H,34,35)/b6-5+,9-7+,10-8+/t18-,19-,20-,24+,25-,28-/m1/s1
InChIKey	HBNPQYZGFDXIQQ-IABJALAPSA-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 C (CHEBI:227239) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name
(3R,4E,6E,8E,10R,11S,12R,14R,15R)-17-(4-acetamidophenyl)-3,11,15-trihydroxy-10,12,14-trimethyl-17-oxoheptadeca-4,6,8-trienoic acid

Manual Xrefs	Databases
58196545	ChemSpider