CHEBI:80509 - trans-Geranyl-CoA

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ChEBI Name trans-Geranyl-CoA
ChEBI ID CHEBI:80509
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C31H50N7O17P3S
Net Charge 0
Average Mass 917.75200
Monoisotopic Mass 917.21968
InChI InChI=1S/C31H50N7O17P3S/c1-18(2)7-6-8-19(3)13-22(40)59-12-11-33-21(39)9-10-34-29(43)26(42)31(4,5)15-52-58(49,50)55-57(47,48)51-14-20-25(54-56(44,45)46)24(41)30(53-20)38-17-37-23-27(32)35-16-36-28(23)38/h7,13,16-17,20,24-26,30,41-42H,6,8-12,14-15H2,1-5H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b19-13+/t20-,24-,25-,26?,30-/m1/s1
InChIKey FWLPCGPDGSQPGT-PGPMCJKDSA-N
SMILES CC(C)=CCC\C(C)=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
ChEBI Ontology
Outgoing trans-Geranyl-CoA (CHEBI:80509) is a organic molecular entity (CHEBI:50860)
Manual Xref Database
C16465 KEGG COMPOUND
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