CHEBI:3284 - CPT-11 carboxylate form

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name CPT-11 carboxylate form
ChEBI ID CHEBI:3284
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C33H39N4O7
C33H39N4O7
Net Charge -1
Average Mass 603.687
Monoisotopic Mass 603.28242
InChI InChI=1S/C33H40N4O7/c1-3-22-23-16-21(44-32(42)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26(25(19-38)30(37)39)33(43,4-2)31(40)41/h8-9,16-17,20,38,43H,3-7,10-15,18-19H2,1-2H3,(H,40,41)/p-1/t33-/m0/s1
InChIKey DCYPPLWVDXGNOW-XIFFEERXSA-M
SMILES N1(C(OC2=CC3=C(C=4CN5C(=CC([C@](C(=O)[O-])(CC)O)=C(C5=O)CO)C4N=C3C=C2)CC)=O)CCC(CC1)N6CCCCC6
ChEBI Ontology
Outgoing CPT-11 carboxylate form (CHEBI:3284) is a quinolines (CHEBI:26513)
Synonym Source
CPT-11 carboxylate form KEGG COMPOUND
Manual Xref Database
C11365 KEGG COMPOUND
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Last Modified
16 August 2018