(Q27147783)

English

Delta(4)-dafachronoyl-CoA(4-)

chemical compound

3-oxocholest-4-en-26-oyl-coenzyme A(4-)
Delta(4)-dafachronoyl-coenzyme A(4-)
3-oxocholest-4-en-26-oyl-CoA(4-)

In more languages

Statements

type of chemical entity

0 references

chemical compound

0 references

1,159.3889336736397 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

(25S)-3-oxocholest-4-en-26-oyl-CoA(4-)

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₈H₇₂N₇O₁₈P₃S⁴⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(CCCC(C)C(=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)C4CCC5C4(CCC6C5CCC7=CC(=O)CCC67C)C

1 reference

language of work or name

3-oxocholest-4-en-26-oyl-CoA (English)

8 October 2016

isomeric SMILES

C[C@H](CCCC(C)C(=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)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5CCC7=CC(=O)CC[C@]67C)C

1 reference

language of work or name

3-oxocholest-4-en-26-oyl-CoA (English)

8 October 2016

Identifiers

InChI=1S/C48H76N7O18P3S/c1-27(32-12-13-33-31-11-10-29-22-30(56)14-17-47(29,5)34(31)15-18-48(32,33)6)8-7-9-28(2)45(61)77-21-20-50-36(57)16-19-51-43(60)40(59)46(3,4)24-70-76(67,68)73-75(65,66)69-23-35-39(72-74(62,63)64)38(58)44(71-35)55-26-54-37-41(49)52-25-53-42(37)55/h22,25-28,31-35,38-40,44,58-59H,7-21,23-24H2,1-6H3,(H,50,57)(H,51,60)(H,65,66)(H,67,68)(H2,49,52,53)(H2,62,63,64)/p-4/t27-,28?,31+,32-,33+,34+,35-,38-,39-,40+,44-,47+,48-/m1/s1

1 reference

based on heuristic

inferred from SMILES

QHTNQHCVKNUPEI-OTVFJGRSSA-J

2 references

language of work or name

3-oxocholest-4-en-26-oyl-CoA (English)

8 October 2016

ChEBI release 2020-09-01

1 reference

language of work or name

Adenosine, 5'-O-[[[[(3R)-4-[[3-[[2-[(3,26-dioxocholest-4-en-26-yl)thio]ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-, 3'-(dihydrogen phos (English)

8 October 2016

2 references

language of work or name

3-oxocholest-4-en-26-oyl-CoA (English)

8 October 2016

matched by identifier from

QHTNQHCVKNUPEI-OTVFJGRSSA-J

1 reference

matched by identifier from

QHTNQHCVKNUPEI-OTVFJGRSSA-J

mapping relation type

2 references

language of work or name

Delta(4)-dafachronoyl-CoA(4-) (English)

8 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C48H76N7O18P3S/c1-27(32-12-13-33-31-11-10-29-22-30(56)14-17-47(29,5)34(31)15-18-48(32,33)6)8-7-9-28(2)45(61)77-21-20-50-36(57)16-19-51-43(60)40(59)46(3,4)24-70-76(67,68)73-75(65,66)69-23-35-39(72-74(62,63)64)38(58)44(71-35)55-26-54-37-41(49)52-25-53-42(37)55/h22,25-28,31-35,38-40,44,58-59H,7-21,23-24H2,1-6H3,(H,50,57)(H,51,60)(H,65,66)(H,67,68)(H2,49,52,53)(H2,62,63,64)/p-4/t27-,28?,31+,32-,33+,34+,35-,38-,39-,40+,44-,47+,48-/m1/s1

UniChem compound ID

1 reference

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

QHTNQHCVKNUPEI-OTVFJGRSSA-J

2 references

https://www.swisslipids.org/#/downloads

6 November 2021

matched by identifier from

QHTNQHCVKNUPEI-OTVFJGRSSA-J

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