CHEBI:34647 - Clindamycin palmitate hydrochloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Clindamycin palmitate hydrochloride
ChEBI ID CHEBI:34647
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C34H63ClN2O6S.HCl
C34H64Cl2N2O6S
Net Charge 0
Average Mass 699.855
Monoisotopic Mass 698.38621
InChI InChI=1S/C34H63ClN2O6S.ClH/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-27(38)42-32-30(40)29(39)31(43-34(32)44-5)28(24(3)35)36-33(41)26-22-25(20-7-2)23-37(26)4;/h24-26,28-32,34,39-40H,6-23H2,1-5H3,(H,36,41);1H/t24-,25+,26-,28+,29+,30-,31+,32+,34+;/m0./s1
InChIKey GTNDZRUWKHDICY-DJHAJVGHSA-N
SMILES [C@@]1([C@@H]([C@@H]([C@H]([C@H](O1)SC)OC(CCCCCCCCCCCCCCC)=O)O)O)([C@](NC([C@H]2N(C[C@@H](C2)CCC)C)=O)([C@@H](Cl)C)[H])[H].Cl
ChEBI Ontology
Outgoing Clindamycin palmitate hydrochloride (CHEBI:34647) is a S-glycosyl compound (CHEBI:35275)
Synonym Source
Clindamycin palmitate hydrochloride KEGG COMPOUND
Manual Xref Database
D01990 KEGG DRUG
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Registry Number Type Source
25507-04-4 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017