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CHEBI:228109 - Cahuitamycin B

ChEBI IDCHEBI:228109
ChEBI NameCahuitamycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H39N7O12
Net Charge0
Average Mass653.646
Monoisotopic Mass653.26567
SMILESO=CN(O)CCC[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)c1ccccc1O)C(=O)N1NCCC[C@@H]1C(=O)NCCC(=O)O
InChIInChI=1S/C27H39N7O12/c35-13-18(31-23(41)16-5-1-2-8-21(16)38)25(43)32-19(14-36)24(42)30-17(6-4-12-33(46)15-37)27(45)34-20(7-3-10-29-34)26(44)28-11-9-22(39)40/h1-2,5,8,15,17-20,29,35-36,38,46H,3-4,6-7,9-14H2,(H,28,44)(H,30,42)(H,31,41)(H,32,43)(H,39,40)/t17-,18+,19+,20-/m1/s1
InChIKeyXGZZLYNXFASBPQ-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 B (CHEBI:228109) is a peptide (CHEBI:16670)
IUPAC Name 
3-[[(3R)-2-[(2R)-5-[ormyl(hydroxy)amino]-2-[[(2S)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[(2-hydroxybenzoyl)amino]propanoyl]amino]propanoyl]amino]pentanoyl]diazinane-3-carbonyl]amino]propanoic acid
Manual XrefsDatabases
58196895ChemSpider