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12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d

PropertiesImage
MNX_IDMNXM162402 Image of MNXM162402
referencechebi:90966
formulaC35H35MgN4O3
global charge-1
mol weight583.995
InChIKeyKEGFWQJFYCEKAJ-ZWHLOQRUSA-K
InChIInChI=1S/C35H38N4O3.Mg/c1-7-10-22-18(5)26-15-28-20(8-2)17(4)25(36-28)14-27-19(6)23(11-12-32(41)42)34(38-27)24-13-31(40)33-21(9-3)29(39-35(24)33)16-30(22)37-26;/h8,14-16,19,23H,2,7,9-13H2,1,3-6H3,(H3,36,37,38,39,40,41,42);/q;+2/p-3/t19-,23-;/m0./s1
SMILESC=CC1=C(C)C2=CC3=[N+]4C(=C5CC(=O)C6=C5N5C(=C6CC)C=C6C(CCC)=C(C)C7=[N+]6[Mg-2]54N2C1=C7)[C@@H](CCC(=O)[O-])[C@@H]3C
MNX internals
InChI (mnx)InChI=1/C35H38N4O3.Mg/c1-7-10-22-18(5)26-15-28-20(8-2)17(4)25(36-28)14-27-19(6)23(11-12-32(41)42)34(38-27)24-13-31(40)33-21(9-3)29(39-35(24)33)16-30(22)37-26;/h8,14-16,19,23H,2,7,9-13H2,1,3-6H3,(H3,36,37,38,39,40,41,42);/q;+2/t19-,23-;/m0./s1 Image of MNXM162402
SMILES (mnx)[CH3:1][CH2:7][CH2:10][C:22]1=[C:30]2[CH:16]=[C:29]3[C:21]([CH2:9][CH3:3])=[C:33]4[C:31](=[O:40])[CH2:13][C:24](=[C:34]5[C@@H:23]([CH2:11][CH2:12][C:32](=[O:41])[OH:42])[C@H:19]([CH3:6])[C:27](=[N:38]5)[CH:14]=[C:25]5[C:17]([CH3:4])=[C:20]([CH:8]=[CH2:2])[C:28](=[CH:15][C:26](=[C:18]1[CH3:5])[NH2+:37]2)[N-:36]5)[C:35]4=[N:39]3.[Mg+2:43]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:90966
chebi:90966
KEGFWQJFYCEKAJ-ZWHLOQRUSA-K 		12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d
12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d(1-)
{3-[(3S,4S)-9-ethenyl-18-ethyl-4,8,13-trimethyl-20-oxo-14-propylphorbin-3-yl-kappa(4)N(23),N(24),N(25),N(26)]propanoato(3-)}magnesate(1-)

kegg.compound:C21428
keggC:C21428
KEGFWQJFYCEKAJ-ZWHLOQRUSA-L 		12-Ethyl-8-propyl-3-vinylbacteriochlorophyllide d

metacyc.compound:CPD-18843
metacycM:CPD-18843 		12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d
3V[P,E]-bacteriochlorophyllide d

CHEBI:131587
chebi:131587
KEGFWQJFYCEKAJ-ZWHLOQRUSA-L 		12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d
{3-[(3S,4S)-9-ethenyl-18-ethyl-4,8,13-trimethyl-20-oxo-14-propylphorbin-3-yl-kappa(4)N(23),N(24),N(25),N(26)]propanoato(2-)}magnesium

keggC:M_C21428 		secondary/obsolete/fantasy identifier