Concept information
Preferred term
3 هیدروکسی 3 (4 هیدروکسی فنیل) پروپیونیل CoA
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C30H44N7O19P3S
inchi
- InChI=1S/C30H44N7O19P3S/c1-30(2,25(43)28(44)33-8-7-20(40)32-9-10-60-21(41)11-18(39)16-3-5-17(38)6-4-16)13-53-59(50,51)56-58(48,49)52-12-19-24(55-57(45,46)47)23(42)29(54-19)37-15-36-22-26(31)34-14-35-27(22)37/h3-6,14-15,18-19,23-25,29,38-39,42-43H,7-13H2,1-2H3,(H,32,40)(H,33,44)(H,48,49)(H,50,51)(H2,31,34,35)(H2,45,46,47)/t18?,19-,23-,24-,25+,29-/m1/s1
inchikey
- VDDFXUMTXCQMFM-NVQRUNIKSA-N
is_conjugate_acid_of
mass
- 931.69200
monoisotopicmass
- 931.16255
smiles
- CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)c1ccc(O)cc1
subset
- 3_STAR
synonym EXACT
- 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[3-hydroxy-3-(4-hydroxyphenyl)propanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
synonym RELATED
- 3-(4-hydroxyphenyl)-3-hydroxypropionyl-CoA
- 3-hydroxy-3-(4-hydroxyphenyl)propanoyl-CoA
- 3-hydroxy-3-(4-hydroxyphenyl)propanoyl-coenzyme A
- 3-hydroxy-3-(4-hydroxyphenyl)propionyl-coenzyme A
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:73549
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