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3-(1-hydroxyethyl)bacteriochlorophyllide a

MNXM8059 is deprecated and here replaced by MNXM740375
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM740375 Image of MNXM740375
referencechebi:81544
formulaC35H38MgN4O6
global charge0
mol weight635.016
InChIKeyNYDYYMZNENQZAP-GVJBDKAVSA-L
InChIInChI=1S/C35H40N4O6.Mg/c1-8-19-14(2)21-13-26-28(18(6)40)16(4)23(37-26)11-22-15(3)20(9-10-27(41)42)32(38-22)30-31(35(44)45-7)34(43)29-17(5)24(39-33(29)30)12-25(19)36-21;/h11-15,18-20,31,40H,8-10H2,1-7H3,(H3,36,37,38,39,41,42,43);/q;+2/p-2/t14-,15+,18?,19-,20+,31-;/m1./s1
SMILESCC[C@H]1C2=CC3=C(C)C4=C5C(=C6[C@@H](CCC(=O)O)[C@H](C)C7=[N+]6[Mg-2]6(N8C(=C7)C(C)=C(C(C)O)C8=CC(=[N+]26)[C@@H]1C)N35)[C@@H](C(=O)OC)C4=O
MNX internals
InChI (mnx)InChI=1/C35H40N4O6.Mg/c1-8-19-14(2)21-13-26-28(18(6)40)16(4)23(37-26)11-22-15(3)20(9-10-27(41)42)32(38-22)30-31(35(44)45-7)34(43)29-17(5)24(39-33(29)30)12-25(19)36-21;/h11-15,18-20,31,40H,8-10H2,1-7H3,(H3,36,37,38,39,41,42,43);/q;+2/t14-,15+,18?,19-,20+,31-;/m1./s1 Image of MNXM740375
SMILES (mnx)[CH3:1][CH2:8][C@@H:19]1[C@@H:14]([CH3:2])[C:21]2=[CH:13]/[C:26]3=[C:28]([CH:18]([CH3:6])[OH:40])[C:16]([CH3:4])=[C:23](/[CH:11]=[C:22]4/[C@@H:15]([CH3:3])[C@H:20]([CH2:9][CH2:10][C:27](=[O:41])[OH:42])/[C:32](=[C:30]5\[C@@H:31]([C:35](=[O:44])[O:45][CH3:7])[C:34](=[O:43])[C:29]6=[C:17]([CH3:5])/[C:24](=[CH:12]\[C:25]1=[NH+:36]/2)[N:39]=[C:33]65)[NH:38]4)[N-:37]3.[Mg+2:46]
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:81544
chebi:81544
NYDYYMZNENQZAP-GVJBDKAVSA-L 		3-(1-hydroxyethyl)bacteriochlorophyllide a
3-Hydroxyethylbacteriochlorophyllide a
3-desacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a
{3-[(3S,4S,13R,14R,21R)-14-ethyl-9-(1-hydroxyethyl)-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-13,14-dihydrophorbin-3-yl-kappa(4)N(23),N(24),N(25),N(26)]propanoato(2-)}magnesium