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CHEBI:221905 - Bicornutin A2

ChEBI IDCHEBI:221905
ChEBI NameBicornutin A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H70N18O5
Net Charge0
Average Mass859.099
Monoisotopic Mass858.57766
SMILESCC(C)C[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)NCCc1ccccc1
InChIInChI=1S/C38H70N18O5/c1-23(2)22-29(56-30(57)25(39)12-6-17-49-35(40)41)34(61)55-28(15-9-20-52-38(46)47)33(60)54-27(14-8-19-51-37(44)45)32(59)53-26(13-7-18-50-36(42)43)31(58)48-21-16-24-10-4-3-5-11-24/h3-5,10-11,23,25-29H,6-9,12-22,39H2,1-2H3,(H,48,58)(H,53,59)(H,54,60)(H,55,61)(H,56,57)(H4,40,41,49)(H4,42,43,50)(H4,44,45,51)(H4,46,47,52)/t25-,26+,27-,28-,29+/m0/s1
InChIKeyIQPCVCCHGSBSRI-UCWKTGAJSA-N
Species of MetaboliteComponentSourceComments
Xenorhabdus (ncbitaxon:626) - PubMed (22873683)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Bicornutin A2 (CHEBI:221905) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2R)-5-(diaminomethylideneamino)-1-oxo-1-(2-phenylethylamino)pentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]-4-methylpentanamide