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CHEBI:143950 - (R,R)-chrysanthemoyl-CoA(4−)

ChEBI IDCHEBI:143950
ChEBI Name(R,R)-chrysanthemoyl-CoA(4−)
Stars
ASCII Name(R,R)-chrysanthemoyl-CoA(4-)
Last Modified2 July 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC31H46N7O17P3S
Net Charge-4
Average Mass913.730
Monoisotopic Mass913.19057
SMILESCC(C)=C[C@@H]1[C@@H](C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)([O-])[O-])C1(C)C
InChIInChI=1S/C31H50N7O17P3S/c1-16(2)11-17-20(31(17,5)6)29(43)59-10-9-33-19(39)7-8-34-27(42)24(41)30(3,4)13-52-58(49,50)55-57(47,48)51-12-18-23(54-56(44,45)46)22(40)28(53-18)38-15-37-21-25(32)35-14-36-26(21)38/h11,14-15,17-18,20,22-24,28,40-41H,7-10,12-13H2,1-6H3,(H,33,39)(H,34,42)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-4/t17-,18-,20+,22-,23-,24+,28-/m1/s1
InChIKeyIOIRXYHMXCHGNR-JRAGNYAJSA-J
ChEBI Ontology
Outgoing Relation(s)
(R,R)-chrysanthemoyl-CoA(4−) (CHEBI:143950) is a acyl-CoA(4−) (CHEBI:58342)
UniProt Name  Source
(1R,3R)-chrysanthemoyl-CoAUniProt
Manual XrefsDatabases
CPD-14450MetaCyc