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precorrin-7

MNXM97116 is deprecated and here replaced by MNXM1372591
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1372591 Image of MNXM1372591
referencechebi:71490
formulaC44H52N4O14
global charge-6
mol weight860.914
InChIKeyNNXVOJHDIACVHI-DLNMIVMTSA-H
InChIInChI=1S/C44H58N4O14/c1-21-37-23(8-11-30(49)50)22(2)43(6,48-37)18-28-24(9-12-31(51)52)41(4,19-35(59)60)29(45-28)17-27-25(10-13-32(53)54)42(5,20-36(61)62)44(7,47-27)39-26(16-34(57)58)40(3,38(21)46-39)15-14-33(55)56/h17,21,25-26,39,47H,8-16,18-20H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/p-6/b27-17-/t21?,25-,26+,39-,40-,41+,42+,43+,44+/m1/s1
SMILESCC1=C(CCC(=O)[O-])C2=N[C@@]1(C)CC1=C(CCC(=O)[O-])[C@](C)(CC(=O)[O-])C(=[NH+]1)/C=C1\N[C@@](C)([C@@H]3N=C(C2C)[C@](C)(CCC(=O)[O-])[C@H]3CC(=O)[O-])[C@@](C)(CC(=O)[O-])[C@@H]1CCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C44H58N4O14/c1-21-37-23(8-11-30(49)50)22(2)43(6,48-37)18-28-24(9-12-31(51)52)41(4,19-35(59)60)29(45-28)17-27-25(10-13-32(53)54)42(5,20-36(61)62)44(7,47-27)39-26(16-34(57)58)40(3,38(21)46-39)15-14-33(55)56/h17,21,25-26,39,47H,8-16,18-20H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/b27-17-/t21?,25-,26+,39-,40-,41+,42+,43+,44+/m1/s1 Image of MNXM1372591
SMILES (mnx)[CH3:1][CH:21]1[C:37]2=[N:48][C@@:43]([CH3:6])([CH2:18][C:28]3=[C:24]([CH2:9][CH2:12][C:31](=[O:51])[OH:52])[C@:41]([CH3:4])([CH2:19][C:35](=[O:59])[OH:60])[C:29](=[N:45]3)/[CH:17]=[C:27]3/[C@@H:25]([CH2:10][CH2:13][C:32](=[O:53])[OH:54])[C@:42]([CH3:5])([CH2:20][C:36](=[O:61])[OH:62])[C@:44]([CH3:7])([C@H:39]4[C@H:26]([CH2:16][C:34](=[O:57])[OH:58])[C@@:40]([CH3:3])([CH2:15][CH2:14][C:33](=[O:55])[OH:56])[C:38]1=[N:46]4)[NH:47]3)[C:22]([CH3:2])=[C:23]2[CH2:8][CH2:11][C:30](=[O:49])[OH:50]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:71490
chebi:71490
NNXVOJHDIACVHI-DLNMIVMTSA-H
precorrin-7
precorrin-7 hexaanion
precorrin-7(6-)

metacyc.compound:CPD-14845
metacycM:CPD-14845
CHEBI:71566
chebi:71566
NNXVOJHDIACVHI-DLNMIVMTSA-H
NNXVOJHDIACVHI-DLNMIVMTSA-N
precorrin-7