(Q27124420)

English

(3S)-citryl-CoA(6-)

chemical compound

In more languages

Statements

type of chemical entity

0 references

chemical compound

0 references

citrate CoA-transferase activity

1 reference

Gene Ontology release 2020-05-02

Rhea release 113

citryl-CoA lyase activity

1 reference

Gene Ontology release 2020-05-02

Rhea release 113

citrate-CoA ligase activity

1 reference

Gene Ontology release 2020-05-02

Rhea release 113

935.08798816146 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₇H₃₆N₇O₂₂P₃S⁶⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CC(CC(=O)[O-])(C(=O)[O-])O)O

1 reference

language of work or name

CHEBI:57321 (English)

6 October 2016

isomeric SMILES

CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C([O-])=NCCC([O-])=NCCSC(=O)C[C@@](O)(CC(=O)[O-])C(=O)[O-]

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C27H42N7O22P3S/c1-26(2,20(40)23(41)30-4-3-14(35)29-5-6-60-16(38)8-27(44,25(42)43)7-15(36)37)10-53-59(50,51)56-58(48,49)52-9-13-19(55-57(45,46)47)18(39)24(54-13)34-12-33-17-21(28)31-11-32-22(17)34/h11-13,18-20,24,39-40,44H,3-10H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,42,43)(H,48,49)(H,50,51)(H2,28,31,32)(H2,45,46,47)/p-6/t13-,18-,19-,20+,24-,27+/m1/s1

0 references

IHVFHZGGMJDGGZ-VPXVXCNZSA-H

1 reference

ChEBI release 2020-09-01

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mapping relation type

1 reference

language of work or name

(3S)-citryl-CoA(6-) (English)

6 October 2016

UniChem compound ID

1 reference

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