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CHEBI:216996 - Cerexin-D4

ChEBI IDCHEBI:216996
ChEBI NameCerexin-D4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC66H101N15O17
Net Charge0
Average Mass1376.622
Monoisotopic Mass1375.74999
SMILESCCC(C)C(NC(=O)C(Cc1cnc2ccccc12)NC(=O)CNC(=O)C(NC(=O)C(CCCCN)NC(=O)C(CC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)CC(O)CCCCCC(C)C)C(C)C)C(C)O)C(=O)O
InChIInChI=1S/C66H101N15O17/c1-8-37(6)56(66(97)98)80-62(93)46(28-40-33-71-43-24-16-15-23-42(40)43)74-54(88)34-72-64(95)57(38(7)82)81-58(89)44(25-17-18-26-67)75-60(91)48(31-51(69)85)77-61(92)49(32-52(70)86)76-59(90)45(27-39-20-12-10-13-21-39)78-65(96)55(36(4)5)79-63(94)47(30-50(68)84)73-53(87)29-41(83)22-14-9-11-19-35(2)3/h10,12-13,15-16,20-21,23-24,33,35-38,41,44-49,55-57,71,82-83H,8-9,11,14,17-19,22,25-32,34,67H2,1-7H3,(H2,68,84)(H2,69,85)(H2,70,86)(H,72,95)(H,73,87)(H,74,88)(H,75,91)(H,76,90)(H,77,92)(H,78,96)(H,79,94)(H,80,93)(H,81,89)(H,97,98)
InChIKeyMKGCAZKSZKRUSC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (827541)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cerexin-D4 (CHEBI:216996) is a polypeptide (CHEBI:15841)
IUPAC Name 
2-[[2-[[2-[[2-[[6-amino-2-[[4-amino-2-[[4-amino-2-[[2-[[2-[[4-amino-2-[(3-hydroxy-9-methyldecanoyl)amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoic acid
Manual XrefsDatabases
78444312ChemSpider