trans,trans-octa-2,4-dienoyl-CoA (CHEBI:62408)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:62408 - trans,trans-octa-2,4-dienoyl-CoA

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:62408
ChEBI Name	trans,trans-octa-2,4-dienoyl-CoA
Stars
ASCII Name	trans,trans-octa-2,4-dienoyl-CoA
Definition	A trans,trans-2,3,4,5-tetradehydroacyl-CoA having trans,trans-octa-2,4-dienoyl as the S-acyl component.
Last Modified	22 June 2011
Submitter	Steve
Downloads	Molfile

Formula	C29H46N7O17P3S
Net Charge	0
Average Mass	889.708
Monoisotopic Mass	889.18837
SMILES	CCC/C=C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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
InChI	InChI=1S/C29H46N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h6-9,16-18,22-24,28,39-40H,4-5,10-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/b7-6+,9-8+/t18-,22-,23-,24+,28-/m1/s1
InChIKey	HOQIPZYVEOMJGX-FPWOLYQWSA-N

Roles Classification

acyl donor Any donor that can transfer acyl groups between molecular entities.

ChEBI Ontology

Outgoing Relation(s)
	trans,trans-octa-2,4-dienoyl-CoA (CHEBI:62408) is a trans,trans-2,3,4,5-tetradehydroacyl-CoA (CHEBI:17157)
	trans,trans-octa-2,4-dienoyl-CoA (CHEBI:62408) is conjugate acid of trans,trans-octa-2,4-dienoyl-CoA(4−) (CHEBI:62243)
Incoming Relation(s)
	trans,trans-octa-2,4-dienoyl-CoA(4−) (CHEBI:62243) is conjugate base of trans,trans-octa-2,4-dienoyl-CoA (CHEBI:62408)

IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E,4E)-octa-2,4-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}

Synonyms	Source
(2E,4E)-octa-2,4-dienoyl-CoA	ChEBI
(E,E)-octa-2,4-dienoyl-CoA	ChEBI
trans-Δ²,trans-Δ⁴-octadienoyl-CoA	ChEBI

Registry Numbers	Sources
Reaxys:10324979	Reaxys

Citations