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CHEBI:221898 - Bicornutin A1

ChEBI IDCHEBI:221898
ChEBI NameBicornutin A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H71N19O5
Net Charge0
Average Mass826.070
Monoisotopic Mass825.58856
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)NCCCCN
InChIInChI=1S/C34H71N19O5/c1-20(2)19-25(53-26(54)21(36)9-5-15-46-31(37)38)30(58)52-24(12-8-18-49-34(43)44)29(57)51-23(11-7-17-48-33(41)42)28(56)50-22(10-6-16-47-32(39)40)27(55)45-14-4-3-13-35/h20-25H,3-19,35-36H2,1-2H3,(H,45,55)(H,50,56)(H,51,57)(H,52,58)(H,53,54)(H4,37,38,46)(H4,39,40,47)(H4,41,42,48)(H4,43,44,49)/t21-,22+,23-,24-,25+/m0/s1
InChIKeyYHRZRWLQHQGLJN-VMAPGKTHSA-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 A1 (CHEBI:221898) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2R)-N-[(2S)-1-[[(2S)-1-[[(2R)-1-(4-aminobutylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanamide