Mohangic acid A (CHEBI:227229)

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CHEBI:227229 - Mohangic acid A

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ChEBI ID	CHEBI:227229
ChEBI Name	Mohangic acid A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H37NO6
Net Charge	0
Average Mass	459.583
Monoisotopic Mass	459.26209
SMILES	C[C@H](/C=C/C=C/C=C/[C@H](O)CC(=O)O)[C@@H](O)[C@H](C)C[C@@H](C)[C@H](O)CC(=O)c1ccc(N)cc1
InChI	InChI=1S/C26H37NO6/c1-17(8-6-4-5-7-9-22(28)15-25(31)32)26(33)19(3)14-18(2)23(29)16-24(30)20-10-12-21(27)13-11-20/h4-13,17-19,22-23,26,28-29,33H,14-16,27H2,1-3H3,(H,31,32)/b5-4+,8-6+,9-7+/t17-,18-,19-,22+,23-,26-/m1/s1
InChIKey	BZNPBFDQMIZFAM-JOCHRXQZSA-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 A (CHEBI:227229) is a long-chain fatty acid (CHEBI:15904)

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

Manual Xrefs	Databases
58196543	ChemSpider