Search MNXref
 Feedback

7(1)-hydroxychlorophyll a

MNXM10435 is deprecated and here replaced by MNXM1107679
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1107679 Image of MNXM1107679
referencechebi:76032
formulaC55H72MgN4O6
global charge0
mol weight909.508
InChIKeyQGHLDVDZKNSEFX-VBYMZDBQSA-M
InChIInChI=1S/C55H73N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-29,31-33,36,40,51,60H,1,13-24,26,30H2,2-11H3,(H-,56,57,58,59,62);/q-1;+2/p-1/b34-25+;/t32-,33-,36+,40+,51-;/m1./s1
SMILESC=CC1=C2C=C3C(CO)=C(CC)C4=[N+]3[Mg-2]35N2C(=C1C)C=C1[C@@H](C)[C@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=[N+]13)C1=C2C(=C(C)C(=C4)N25)C(=O)[C@@H]1C(=O)OC
MNX internals
InChI (mnx)InChI=1/C55H74N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-29,31-33,36,40,51,60H,1,13-24,26,30H2,2-11H3,(H2,56,57,58,59,62);/q;+2/b34-25+;/t32-,33-,36+,40+,51-;/m1./s1 Image of MNXM1107679
SMILES (mnx)[CH2:1]=[CH:12][C:38]1=[C:35]([CH3:8])[C:42]2=[CH:27][C:43]3=[N:58][C:52](=[C:50]4[C@@H:51]([C:55](=[O:63])[O:64][CH3:11])[C:54](=[O:62])[C:49]5=[C:37]([CH3:10])[C:44](=[CH:28][C:46]6=[C:39]([CH2:13][CH3:2])[C:41]([CH2:30][OH:60])=[C:47]([CH:29]=[C:45]1[NH2+:56]2)[N-:57]6)[N:59]=[C:53]54)[C@@H:40]([CH2:23][CH2:24][C:48](=[O:61])[O:65][CH2:26]/[CH:25]=[C:34](\[CH3:7])[CH2:22][CH2:16][CH2:21][C@H:33]([CH3:6])[CH2:20][CH2:15][CH2:19][C@H:32]([CH3:5])[CH2:18][CH2:14][CH2:17][CH:31]([CH3:3])[CH3:4])[C@@H:36]3[CH3:9].[Mg+2:66]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:76032
chebi:76032
QGHLDVDZKNSEFX-VBYMZDBQSA-M 		7(1)-hydroxychlorophyll a
7(1)-Hydroxychlorophyll a
7-Hydroxymethylchlorophyll a
[methyl (3S,4S,21R)-14-ethyl-13-(hydroxymethyl)-4,8,18-trimethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-9-vinylphorbine-21-carboxylatato(2-)-kappa(4)N(23),N(24),N(25),N(26)]magnesium

kegg.compound:C18151
keggC:C18151
QGHLDVDZKNSEFX-VBYMZDBQSA-M 		7(1)-Hydroxychlorophyll a
7-Hydroxymethylchlorophyll a

seed.compound:cpd19421
seedM:cpd19421
QGHLDVDZKNSEFX-IOBBVUIDSA-M 		7(1)-Hydroxychlorophyll a
7-Hydroxymethylchlorophyll a
71-hydroxychlorophyll a
HMChl

keggC:M_C18151
seedM:M_cpd19421 		secondary/obsolete/fantasy identifier