Concept information
Preferred term
3 هیدروکسی 3 (4 هیدروکسی 3 متوکسی فنیل) پروپانویل CoA
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
alt_id
- CHEBI:11996
- CHEBI:1844
- CHEBI:20381
charge
- 0
formula
- C31H46N7O20P3S
has_functional_parent
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)/t18?,20-,24-,25-,26+,30-/m1/s1
inchikey
- SDNPOBCYTJKZSD-XWQDBIPASA-N
is_conjugate_acid_of
mass
- 961.71940
monoisotopicmass
- 961.17312
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] dihydrogen diphosphate}
synonym RELATED
- 3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA
- 4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:17068
{{label}}
{{#each values }} {{! loop through ConceptPropertyValue objects }}
{{#if prefLabel }}
{{/if}}
{{/each}}
{{#if notation }}{{ notation }} {{/if}}{{ prefLabel }}
{{#ifDifferentLabelLang lang }} ({{ lang }}){{/ifDifferentLabelLang}}
{{#if vocabName }}
{{ vocabName }}
{{/if}}