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CHEBI:202298 - Cerexin-D3

ChEBI IDCHEBI:202298
ChEBI NameCerexin-D3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC66H101N15O17
Net Charge0
Average Mass1376.622
Monoisotopic Mass1375.74999
SMILESCCC(C)CCCCC(O)CC(=O)NC(CC(N)=O)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(CC(N)=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCCN)C(=O)NC(C(=O)NCC(=O)NC(Cc1cnc2ccccc12)C(=O)NC(C(=O)O)C(C)CC)C(C)O)C(C)C
InChIInChI=1S/C66H101N15O17/c1-8-36(5)19-13-14-22-41(83)29-53(87)73-47(30-50(68)84)63(94)79-55(35(3)4)65(96)78-45(27-39-20-11-10-12-21-39)59(90)76-49(32-52(70)86)61(92)77-48(31-51(69)85)60(91)75-44(25-17-18-26-67)58(89)81-57(38(7)82)64(95)72-34-54(88)74-46(62(93)80-56(66(97)98)37(6)9-2)28-40-33-71-43-24-16-15-23-42(40)43/h10-12,15-16,20-21,23-24,33,35-38,41,44-49,55-57,71,82-83H,8-9,13-14,17-19,22,25-32,34,67H2,1-7H3,(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)
InChIKeyAHAZEMDQNBAXRV-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-D3 (CHEBI:202298) 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-8-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
78444006ChemSpider