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CHEBI:223128 - Chitinimide D

ChEBI IDCHEBI:223128
ChEBI NameChitinimide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H79N13O16S2
Net Charge0
Average Mass1242.446
Monoisotopic Mass1241.52092
SMILESCC=C(NC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)N[C@@H](CO)C(=O)NC(=CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1c1nc(C(=O)N[C@@H](CCSC)C(=O)O[C@@H](CC(=O)O)[C@@H]2[C@H](OC(C)=O)CCN2C(=O)[C@@H](N)[C@@H](C)CC)cs1
InChIInChI=1S/C55H79N13O16S2/c1-7-29(4)43(56)51(78)68-23-19-40(83-30(5)70)44(68)41(26-42(71)72)84-53(81)35(20-24-85-6)62-48(76)38-28-86-49(64-38)39-18-14-22-67(39)50(77)34(17-13-21-59-54(57)58)61-45(73)32(8-2)60-47(75)37(27-69)63-46(74)33(9-3)65-55(82)66-36(52(79)80)25-31-15-11-10-12-16-31/h8-12,15-16,28-29,34-37,39-41,43-44,69H,7,13-14,17-27,56H2,1-6H3,(H,60,75)(H,61,73)(H,62,76)(H,63,74)(H,71,72)(H,79,80)(H4,57,58,59)(H2,65,66,82)/t29-,34-,35-,36-,37-,39-,40+,41-,43-,44-/m0/s1
InChIKeyAPMFCROHCZQOAG-XFJXDZDHSA-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 D (CHEBI:223128) is a depsipeptide (CHEBI:23643)