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CHEBI:205896 - Actinoramide A

ChEBI IDCHEBI:205896
ChEBI NameActinoramide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H47N7O9
Net Charge0
Average Mass661.757
Monoisotopic Mass661.34353
SMILESCOCC(=O)N[C@@H](C(=O)N1NCCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](C)C(=O)N[C@H]1CCN(C(N)=O)C1=O)[C@H](O)C(C)C
InChIInChI=1S/C31H47N7O9/c1-17(2)25(40)24(36-23(39)16-47-4)30(45)38-22(11-8-13-33-38)28(43)35-21(15-19-9-6-5-7-10-19)26(41)18(3)27(42)34-20-12-14-37(29(20)44)31(32)46/h5-7,9-10,17-18,20-22,24-26,33,40-41H,8,11-16H2,1-4H3,(H2,32,46)(H,34,42)(H,35,43)(H,36,39)/t18-,20-,21-,22-,24+,25+,26-/m0/s1
InChIKeyIAYPOIKGUHHBAU-DYTCPEOESA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (21857753)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Actinoramide A (CHEBI:205896) is a peptide (CHEBI:16670)
IUPAC Name 
(3S)-N-[(2S,3S,4S)-5-[[(3S)-1-carbamoyl-2-oxopyrrolidin-3-yl]amino]-3-hydroxy-4-methyl-5-oxo-1-phenylpentan-2-yl]-2-[(2R,3R)-3-hydroxy-2-[(2-methoxyacetyl)amino]-4-methylpentanoyl]diazinane-3-carboxamide
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28185039ChemSpider