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CHEBI:220356 - Thanamycin

ChEBI IDCHEBI:220356
ChEBI NameThanamycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H87ClN12O22
Net Charge0
Average Mass1291.805
Monoisotopic Mass1290.57464
SMILESC/C=C1\NC(=O)C(C(C)O)NC(=O)C(Cc2cncn2)NC(=O)C(CCO)NC(=O)C(CC(=O)O)NC(=O)C(O)(CCCN)NC(=O)C(NC(=O)CC(O)C(O)CCCCCCCCCCCC)COC(=O)C(C(O)CCl)NC(=O)C(C(O)C(=O)O)NC1=O
InChIInChI=1S/C54H87ClN12O22/c1-4-6-7-8-9-10-11-12-13-14-16-35(70)36(71)23-38(73)59-34-26-89-52(86)41(37(72)24-55)65-50(83)42(43(76)51(84)85)66-44(77)30(5-2)60-49(82)40(28(3)69)64-47(80)32(21-29-25-57-27-58-29)62-45(78)31(17-20-68)61-46(79)33(22-39(74)75)63-53(87)54(88,18-15-19-56)67-48(34)81/h5,25,27-28,31-37,40-43,68-72,76,88H,4,6-24,26,56H2,1-3H3,(H,57,58)(H,59,73)(H,60,82)(H,61,79)(H,62,78)(H,63,87)(H,64,80)(H,65,83)(H,66,77)(H,67,81)(H,74,75)(H,84,85)/b30-5-
InChIKeyFZGZHJMOMMMXAA-GWLNDQIASA-N
Species of MetaboliteComponentSourceComments
Pseudomonas (ncbitaxon:286) - PubMed (26412281)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Thanamycin (CHEBI:220356) is a cyclodepsipeptide (CHEBI:35213)