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CHEBI:210785 - Cerexin-D2

ChEBI IDCHEBI:210785
ChEBI NameCerexin-D2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC65H99N15O17
Net Charge0
Average Mass1362.595
Monoisotopic Mass1361.73434
SMILESCCCCCCCC(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/C65H99N15O17/c1-7-9-10-11-15-22-40(82)29-52(86)72-46(30-49(67)83)62(93)78-54(35(3)4)64(95)77-44(27-38-20-13-12-14-21-38)58(89)75-48(32-51(69)85)60(91)76-47(31-50(68)84)59(90)74-43(25-18-19-26-66)57(88)80-56(37(6)81)63(94)71-34-53(87)73-45(61(92)79-55(65(96)97)36(5)8-2)28-39-33-70-42-24-17-16-23-41(39)42/h12-14,16-17,20-21,23-24,33,35-37,40,43-48,54-56,70,81-82H,7-11,15,18-19,22,25-32,34,66H2,1-6H3,(H2,67,83)(H2,68,84)(H2,69,85)(H,71,94)(H,72,86)(H,73,87)(H,74,90)(H,75,89)(H,76,91)(H,77,95)(H,78,93)(H,79,92)(H,80,88)(H,96,97)
InChIKeyGPMJKHRJEQJBBN-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-D2 (CHEBI:210785) 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-hydroxydecanoylamino)-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
78444278ChemSpider