Search MNXref
 Feedback

3-vinylbacteriochlorophyllide a(1-)

MNXM10126 is deprecated and here replaced by MNXM725995
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM725995 Image of MNXM725995
referencechebi:74406
formulaC35H35MgN4O5
global charge-1
mol weight615.993
InChIKeyAVEDVDGOEJPOAB-IBHSAMIZSA-K
InChIInChI=1S/C35H38N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8,12-14,16-17,20-21,31H,1,9-11H2,2-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-3/t16-,17+,20-,21+,31-;/m1./s1
SMILESC=CC1=C2C=C3[C@H](C)[C@@H](CC)C4=[N+]3[Mg-2]35N2C(=C1C)C=C1[C@@H](C)[C@H](CCC(=O)[O-])C(=[N+]13)C1=C2C(=C(C)C(=C4)N25)C(=O)[C@@H]1C(=O)OC
MNX internals
InChI (mnx)InChI=1/C35H38N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8,12-14,16-17,20-21,31H,1,9-11H2,2-7H3,(H3,36,37,38,39,40,41,42);/q;+2/t16-,17+,20-,21+,31-;/m1./s1 Image of MNXM725995
SMILES (mnx)[CH2:1]=[CH:8][C:19]1=[C:26]2/[CH:13]=[C:23]3/[C@H:16]([CH3:4])[C@@H:20]([CH2:9][CH3:2])[C:27](=[NH+:37]3)/[CH:14]=[C:25]3/[C:18]([CH3:6])=[C:29]4[C:33](=[N:39]3)/[C:30](=[C:32]3/[C@@H:21]([CH2:10][CH2:11][C:28](=[O:40])[OH:41])[C@H:17]([CH3:5])/[C:24](=[CH:12]/[C:22](=[C:15]1[CH3:3])[N-:36]2)[NH:38]3)[C@@H:31]([C:35](=[O:43])[O:44][CH3:7])[C:34]4=[O:42].[Mg+2:45]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:74406
chebi:74406
AVEDVDGOEJPOAB-IBHSAMIZSA-K 		3-vinylbacteriochlorophyllide a(1-)
{3-[(3S,4S,13R,14R,21R)-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinyl-13,14-dihydrophorbin-3-yl-kappa(4)N(23),N(24),N(25),N(26)]propanoato(3-)}magnesate(1-)

CHEBI:74628
chebi:74628
AVEDVDGOEJPOAB-IBHSAMIZSA-L 		3-vinylbacteriochlorophyllide a
{3-[(3S,4S,13R,14R,21R)-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinyl-13,14-dihydrophorbin-3-yl-kappa(4)N(23),N(24),N(25),N(26)]propanoato(2-)}magnesium