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CHEBI:219644 - Crochelin B

ChEBI IDCHEBI:219644
ChEBI NameCrochelin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H71N9O14
Net Charge0
Average Mass878.035
Monoisotopic Mass877.51205
SMILESCCCCCCCCCCCC(=O)NC(CO)C(O)CC(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCCN(O)C=O)C(=O)NCCCCN)[C@@H](O)C(=O)O
InChIInChI=1S/C38H71N9O14/c1-2-3-4-5-6-7-8-9-10-15-30(52)42-27(22-48)29(51)21-31(53)43-28(23-49)36(57)46-32(33(54)38(59)60)37(58)45-26(16-18-40)35(56)44-25(14-13-20-47(61)24-50)34(55)41-19-12-11-17-39/h24-29,32-33,48-49,51,54,61H,2-23,39-40H2,1H3,(H,41,55)(H,42,52)(H,43,53)(H,44,56)(H,45,58)(H,46,57)(H,59,60)/t25-,26-,27?,28-,29?,32-,33+/m0/s1
InChIKeyINSJWRJBLNYTMW-NLTPFZDQSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Crochelin B (CHEBI:219644) is a peptide (CHEBI:16670)
IUPAC Name 
(2R,3S)-4-[[(2S)-4-amino-1-[[(2S)-1-(4-aminobutylamino)-5-[ormyl(hydroxy)amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-[[(2S)-2-[[4-(dodecanoylamino)-3,5-dihydroxypentanoyl]amino]-3-hydroxypropanoyl]amino]-2-hydroxy-4-oxobutanoic acid
Manual XrefsDatabases
78440642ChemSpider