CHEBI:227229 - Mohangic acid A

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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 A
ChEBI ID CHEBI:227229
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C26H37NO6
Net Charge 0
Average Mass 459.583
Monoisotopic Mass 459.26209
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
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(N)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 )
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ChEBI Ontology
Outgoing 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 Xref Database
58196543 ChemSpider
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