(Q27103637)

English

(S)-3-hydroxydecanoyl-CoA

chemical compound

3-Hydroxydecanoyl-coenzyme A
S-(3-hydroxydecanoyl)coenzyme A
beta-hydroxydecanoyl coenzyme A
beta-hydroxydecanoyl-CoA
coenzyme A S-3-hydroxydecanoate
(S)-3-hydroxydecanoyl-coenzyme A
3-OH C10:0-CoA
3-OH 10:0-CoA

In more languages

default for all languages

No label defined

No description defined

Statements

group of stereoisomers

0 references

0 references

937.245889±0 dalton

1 reference

language of work or name

beta-hydroxydecanoyl-CoA (English)

5 October 2016

chemical formula

C₃₁H₅₄N₇O₁₈P₃S

1 reference

language of work or name

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

language of work or name

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

language of work or name

beta-hydroxydecanoyl-CoA (English)

5 October 2016

2 references

Recon 2.2: from reconstruction to model of human metabolism

A community-driven global reconstruction of human metabolism.

subject has role

primary metabolite

1 reference

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

Identifiers

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

language of work or name

beta-hydroxydecanoyl-CoA (English)

5 October 2016

HIVSMYZAMUNFKZ-PNPVFPMQSA-N

2 references

language of work or name

beta-hydroxydecanoyl-CoA (English)

5 October 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

language of work or name

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

5 October 2016

CAS Common Chemistry

6 April 2021

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

HIVSMYZAMUNFKZ-PNPVFPMQSA-N

1 reference

language of work or name

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

2 references

language of work or name

beta-hydroxydecanoyl-CoA (English)

5 October 2016

matched by identifier from

HIVSMYZAMUNFKZ-PNPVFPMQSA-N

mapping relation type

2 references

language of work or name

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

5 October 2016

matched by identifier from

International Chemical Identifier

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

UniChem compound ID

1 reference

DSSTox substance ID

DTXSID201000322

0 references

DSSTOX compound identifier

DTXCID301427286

0 references

Human Metabolome Database ID

0 references

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

HIVSMYZAMUNFKZ-PNPVFPMQSA-N

0 references

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

15 January 2022

HIVSMYZAMUNFKZ-PNPVFPMQSA-N

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