(Q27159089)

3-Hydroxydecanoyl-coenzyme A (English)

9 October 2016

chemical formula

C₃₁H₅₄N₇O₁₈P₃S

1 reference

3-Hydroxydecanoyl-coenzyme A (English)

9 October 2016

canonical SMILES

CCCCCCCC(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)O

1 reference

3-Hydroxydecanoyl-coenzyme A (English)

9 October 2016

isomeric SMILES

CCCCCCCC(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)O

1 reference

3-Hydroxydecanoyl-coenzyme A (English)

InChI=1S/C31H54N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-20,24-26,30,39,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t19?,20-,24-,25-,26+,30-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

3-Hydroxydecanoyl-coenzyme A (English)

HIVSMYZAMUNFKZ-OUDFDEKCSA-N

9 October 2016

InChIKey

2 references

3-Hydroxydecanoyl-coenzyme A (English)

CAS (formerly Chemical Abstracts Service)

9 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

6245-70-1

1 reference

stated in

25 January 2022

1 reference

3-Hydroxydecanoyl-coenzyme A (English)

9 October 2016

ChEBI ID

86338

mapping relation type

1 reference