Concept information
Preferred term
2 oxepin 2(3H) ylideneacetyl CoA(4)
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- -4
formula
- C29H38N7O18P3S
inchi
- InChI=1S/C29H42N7O18P3S/c1-29(2,24(40)27(41)32-8-7-19(37)31-9-11-58-20(38)12-17-6-4-3-5-10-49-17)14-51-57(47,48)54-56(45,46)50-13-18-23(53-55(42,43)44)22(39)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h3-5,10,12,15-16,18,22-24,28,39-40H,6-9,11,13-14H2,1-2H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/p-4/b17-12-/t18-,22-,23-,24+,28-/m1/s1
inchikey
- ZQZCWPBSHHYCMM-BETJHJQZSA-J
is_conjugate_base_of
mass
- 897.63400
monoisotopicmass
- 897.12288
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)/C=C1/CC=CC=CO1
subset
- 3_STAR
synonym RELATED
- 2-oxepin-2(3H)-ylideneacetyl-CoA
- 2-oxepin-2(3H)-ylideneacetyl-CoA tetraanion
- oxepin-CoA(4-)
- oxepin-CoA tetraanion
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:63252
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