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CHEBI:225200 - Cerexin A

ChEBI IDCHEBI:225200
ChEBI NameCerexin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H103N15O19
Net Charge0
Average Mass1374.603
Monoisotopic Mass1373.75547
SMILESCC[C@@H](C)[C@@H](NC(=O)[C@@H](Cc1cnc2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C[C@H](O)CCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)C[C@H](O)CCCCCC(C)C)C(C)C)C(C)C)[C@H](C)O)C(=O)O
InChIInChI=1S/C63H103N15O19/c1-10-33(8)52(63(96)97)77-56(89)40(22-35-28-68-39-19-15-14-18-38(35)39)70-59(92)45(29-79)74-62(95)53(34(9)80)78-57(90)41(23-37(82)20-21-64)71-54(87)43(26-47(66)84)72-55(88)44(27-48(67)85)73-60(93)50(31(4)5)76-61(94)51(32(6)7)75-58(91)42(25-46(65)83)69-49(86)24-36(81)17-13-11-12-16-30(2)3/h14-15,18-19,28,30-34,36-37,40-45,50-53,68,79-82H,10-13,16-17,20-27,29,64H2,1-9H3,(H2,65,83)(H2,66,84)(H2,67,85)(H,69,86)(H,70,92)(H,71,87)(H,72,88)(H,73,93)(H,74,95)(H,75,91)(H,76,94)(H,77,89)(H,78,90)(H,96,97)/t33-,34+,36-,37-,40-,41+,42+,43-,44-,45-,50+,51+,52-,53+/m1/s1
InChIKeyFJMFWIVNMAFUOP-KQDRFGCCSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (236271)
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 A (CHEBI:225200) is a peptide (CHEBI:16670)
IUPAC Name 
(2R,3R)-2-[[(2R)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S,4R)-6-amino-2-[[(2R)-4-amino-2-[[(2R)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(3R)-3-hydroxy-9-methyldecanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-4-hydroxyhexanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoic acid
Manual XrefsDatabases
78443302ChemSpider