Concept information
Preferred term
3 هیدروکسی 3 (4 هیدروکسی 3 متوکسی فنیل) پروپانویل CoA(4)
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- -4
formula
- C31H42N7O20P3S
inchi
- InChI=1S/C31H46N7O20P3S/c1-31(2,26(44)29(45)34-7-6-21(41)33-8-9-62-22(42)11-18(40)16-4-5-17(39)19(10-16)53-3)13-55-61(51,52)58-60(49,50)54-12-20-25(57-59(46,47)48)24(43)30(56-20)38-15-37-23-27(32)35-14-36-28(23)38/h4-5,10,14-15,18,20,24-26,30,39-40,43-44H,6-9,11-13H2,1-3H3,(H,33,41)(H,34,45)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/p-4/t18?,20-,24-,25-,26+,30-/m1/s1
inchikey
- SDNPOBCYTJKZSD-XWQDBIPASA-J
is_conjugate_base_of
mass
- 957.68600
monoisotopicmass
- 957.14401
smiles
- COc1cc(ccc1O)C(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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
subset
- 3_STAR
synonym EXACT
- 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
synonym RELATED
- 3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoyl-CoA
- 3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoyl-CoA tetraanion
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:58004
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