Concept information
Preferred term
(4S) 4 (2 پروپیلیسونیکوتینول) نیکوتین آمید آدنین دی نوکلئوتید
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C30H38N8O15P2
has_functional_parent
inchi
- InChI=1S/C30H38N8O15P2/c1-2-3-15-8-14(4-6-33-15)21(39)16-5-7-37(9-17(16)27(32)44)29-24(42)22(40)18(51-29)10-49-54(45,46)53-55(47,48)50-11-19-23(41)25(43)30(52-19)38-13-36-20-26(31)34-12-35-28(20)38/h4-9,12-13,16,18-19,22-25,29-30,40-43H,2-3,10-11H2,1H3,(H2,32,44)(H,45,46)(H,47,48)(H2,31,34,35)/t16-,18+,19+,22+,23+,24+,25+,29+,30+/m0/s1
inchikey
- INZZWAGIWIYXKO-NNTKUHMYSA-N
mass
- 812.61480
monoisotopicmass
- 812.19319
smiles
- CCCc1cc(ccn1)C(=O)[C@H]1C=CN(C=C1C(N)=O)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
subset
- 3_STAR
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:44608
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