Showing Metabocard for (2E,4Z)-decadienoyl-CoA (BASm0008997)

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Common Name	(2e,4z)-decadienoyl-coa
Description	Trans-delta2, cis-delta4-decadienoyl-coa is also known as (2e,4z)-decadienoyl-coa. Trans-delta2, cis-delta4-decadienoyl-coa is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). Trans-delta2, cis-delta4-decadienoyl-coa can be found in a number of food items such as tartary buckwheat, bitter gourd, mulberry, and ginger, which makes trans-delta2, cis-delta4-decadienoyl-coa a potential biomarker for the consumption of these food products.
Structure
Molecular Formula	C₃₁H₄₆N₇O₁₇P₃S
Average Mass	913.72000
Monoisotopic Mass	913.19057
IUPAC Name	Not Available
Traditional Name	Not Available
CAS Registry Number	Not Available
SMILES	CCCCC/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 Identifier	InChI=1S/C31H50N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h8-11,18-20,24-26,30,41-42H,4-7,12-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-4/b9-8-,11-10+/t20-,24-,25-,26+,30-/m1/s1
InChI Key	FASAKYLWSRDQOH-IMVFQKDNSA-J
CHEBI ID	CHEBI:137593
HMDB ID	HMDB0304510
State	Not Available
Water Solubility	Not Available
logS	Not Available
pKa (Strongest Acidic)	Not Available
pKa (Strongest Basic)	Not Available
Hydrogen Acceptor Count	Not Available
Hydrogen Donor Count	Not Available
Rotatable Bond Count	Not Available
Physiological Charge	Not Available
Formal Charge	Not Available
Polarizability	Not Available

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