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CHEBI:223116 - Chitinimide B

ChEBI IDCHEBI:223116
ChEBI NameChitinimide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H71N13O14S2
Net Charge0
Average Mass1118.307
Monoisotopic Mass1117.46849
SMILESC/C=C(\NC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)N[C@@H](CO)C(=O)N/C(=C\C)C(=O)N[C@@H](CO)C(=O)N/C(=C\C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1[C@H]1NC(C(=O)N[C@@H](CCSC)C(=O)OC)CS1
InChIInChI=1S/C48H71N13O14S2/c1-6-27(37(64)54-30(16-12-19-51-47(49)50)44(70)61-20-13-17-36(61)43-58-35(25-77-43)42(69)55-31(18-21-76-5)46(73)75-4)52-40(67)33(23-62)56-38(65)28(7-2)53-41(68)34(24-63)57-39(66)29(8-3)59-48(74)60-32(45(71)72)22-26-14-10-9-11-15-26/h6-11,14-15,30-36,43,58,62-63H,12-13,16-25H2,1-5H3,(H,52,67)(H,53,68)(H,54,64)(H,55,69)(H,56,65)(H,57,66)(H,71,72)(H4,49,50,51)(H2,59,60,74)/b27-6-,28-7-,29-8-/t30-,31-,32-,33-,34-,35?,36-,43-/m0/s1
InChIKeyVJVSLBMNZWUBIP-UHHYSGKUSA-N
Species of MetaboliteComponentSourceComments
Chitinimonas koreensis DSM 17726 (ncbitaxon:1121278) - PubMed (34301933)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Chitinimide B (CHEBI:223116) is a polypeptide (CHEBI:15841)