(S)-3-hydroxydecanoyl-CoA (Q27103637)

beta-hydroxydecanoyl-CoA (English)

5 October 2016

chemical formula

C₃₁H₅₄N₇O₁₈P₃S

1 reference

beta-hydroxydecanoyl-CoA (English)

5 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

beta-hydroxydecanoyl-CoA (English)

5 October 2016

isomeric SMILES

CCCCCCC[C@@H](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

Recon 2.2: from reconstruction to model of human metabolism

beta-hydroxydecanoyl-CoA (English)

5 October 2016

2 references

stated in

A community-driven global reconstruction of human metabolism.

1 reference

https://reactome.org/PathwayBrowser/#/R-HSA-1430728&DTAB=MT

Identifiers

InChI

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+/m0/s1

1 reference

beta-hydroxydecanoyl-CoA (English)

HIVSMYZAMUNFKZ-PNPVFPMQSA-N

5 October 2016

InChIKey

2 references

beta-hydroxydecanoyl-CoA (English)

5 October 2016

stated in

ChEBI release 2020-09-01

2 references

https://commonchemistry.cas.org/detail?cas_rn=79171-49-6

(S)-3-hydroxydecanoyl-CoA (English)

5 October 2016

6 April 2021

InChIKey

HIVSMYZAMUNFKZ-PNPVFPMQSA-N

1 reference

S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~- (English)

5 October 2016

1 reference