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CHEBI:228107 - Cahuitamycin A

ChEBI IDCHEBI:228107
ChEBI NameCahuitamycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H37N7O11
Net Charge0
Average Mass635.631
Monoisotopic Mass635.25511
SMILESO=CN(O)CCC[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1COC(c2ccccc2O)=N1)C(=O)N1NCCC[C@@H]1C(=O)NCCC(=O)O
InChIInChI=1S/C27H37N7O11/c35-13-18(31-24(41)19-14-45-26(32-19)16-5-1-2-8-21(16)37)23(40)30-17(6-4-12-33(44)15-36)27(43)34-20(7-3-10-29-34)25(42)28-11-9-22(38)39/h1-2,5,8,15,17-20,29,35,37,44H,3-4,6-7,9-14H2,(H,28,42)(H,30,40)(H,31,41)(H,38,39)/t17-,18+,19+,20-/m1/s1
InChIKeyHAEVQUMQPJTONP-FUMNGEBKSA-N
Species of MetaboliteComponentSourceComments
Streptomyces gandocaensis (ncbitaxon:1649596) - PubMed (26880271)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cahuitamycin A (CHEBI:228107) is a peptide (CHEBI:16670)
IUPAC Name 
3-[[(3R)-2-[(2R)-5-[ormyl(hydroxy)amino]-2-[[(2S)-3-hydroxy-2-[[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]propanoyl]amino]pentanoyl]diazinane-3-carbonyl]amino]propanoic acid
Manual XrefsDatabases
58196894ChemSpider