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CHEBI:213256 - Ferintoic acid A

ChEBI IDCHEBI:213256
ChEBI NameFerintoic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H58N8O9
Net Charge0
Average Mass867.017
Monoisotopic Mass866.43268
SMILESCC(C)[C@@H]1NC(=O)[C@H](NC(=O)NC(Cc2cnc3ccccc23)C(=O)O)CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O
InChIInChI=1S/C46H58N8O9/c1-27(2)39-43(59)49-36(22-19-29-17-20-32(55)21-18-29)44(60)54(4)28(3)40(56)50-37(24-30-12-6-5-7-13-30)41(57)47-23-11-10-16-35(42(58)53-39)51-46(63)52-38(45(61)62)25-31-26-48-34-15-9-8-14-33(31)34/h5-9,12-15,17-18,20-21,26-28,35-39,48,55H,10-11,16,19,22-25H2,1-4H3,(H,47,57)(H,49,59)(H,50,56)(H,53,58)(H,61,62)(H2,51,52,63)/t28-,35+,36-,37-,38?,39-/m0/s1
InChIKeyZATXZWLJJMKQDB-AOWMEVDFSA-N
Species of MetaboliteComponentSourceComments
Microcystis aeruginosa (ncbitaxon:1126) - DOI (10.1021/np960108l)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ferintoic acid A (CHEBI:213256) is a oligopeptide (CHEBI:25676)
IUPAC Name 
2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-(1H-indol-3-yl)propanoic acid
Manual XrefsDatabases
78440370ChemSpider