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docosanoyl-AMP

PropertiesImage
MNX_IDMNXM164577 Image of MNXM164577
referencechebi:142980
formulaC32H55N5O8P
global charge-1
mol weight668.793
InChIKeyGSAWLIAMNVVWQN-FANUBLADSA-M
InChIInChI=1S/C32H56N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(38)45-46(41,42)43-22-25-28(39)29(40)32(44-25)37-24-36-27-30(33)34-23-35-31(27)37/h23-25,28-29,32,39-40H,2-22H2,1H3,(H,41,42)(H2,33,34,35)/p-1/t25-,28-,29-,32-/m1/s1
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C32H56N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(38)45-46(41,42)43-22-25-28(39)29(40)32(44-25)37-24-36-27-30(33)34-23-35-31(27)37/h23-25,28-29,32,39-40H,2-22H2,1H3,(H,41,42)(H2,33,34,35)/t25-,28-,29-,32-/m1/s1 Image of MNXM164577
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][C:26](=[O:38])[O:45][P:46]([OH:41])(=[O:42])[O:43][CH2:22][C@@H:25]1[C@@H:28]([OH:39])[C@@H:29]([OH:40])[C@H:32]([N:37]2[CH:24]=[N:36][C:27]3=[C:30]([NH2:33])[N:34]=[CH:23][N:35]=[C:31]32)[O:44]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:142980
chebi:142980
GSAWLIAMNVVWQN-FANUBLADSA-M
docosanoyl-AMP
docosanoyl-AMP(1-)

metacyc.compound:CPD-18625
metacycM:CPD-18625
seed.compound:cpd33585
seedM:cpd33585
GSAWLIAMNVVWQN-FANUBLADSA-M
(behenoyl)adenylate
(docosanoyl)adenylate

seedM:M_cpd33585
secondary/obsolete/fantasy identifier