Mohangic acid E (CHEBI:227248)

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CHEBI:227248 - Mohangic acid E

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ChEBI ID	CHEBI:227248
ChEBI Name	Mohangic acid E
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H47NO11
Net Charge	0
Average Mass	621.724
Monoisotopic Mass	621.31491
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[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
InChI	InChI=1S/C32H47NO11/c1-18(8-6-4-5-7-9-23(35)15-27(38)39)28(40)20(3)14-19(2)24(36)16-25(37)21-10-12-22(13-11-21)33-32-31(43)30(42)29(41)26(17-34)44-32/h4-13,18-20,23-24,26,28-36,40-43H,14-17H2,1-3H3,(H,38,39)/b5-4+,8-6+,9-7+/t18-,19-,20-,23+,24-,26-,28-,29-,30+,31-,32-/m1/s1
InChIKey	FKOZUOZLANCREK-VZHUOFTASA-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 E (CHEBI:227248) 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-oxo-17-[4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]phenyl]heptadeca-4,6,8-trienoic acid

Manual Xrefs	Databases
58196547	ChemSpider