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Neuromedin N

MNXM64499 is deprecated and here replaced by MNXM1103729
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1103729 Image of MNXM1103729
referencebiggM:CE5797
formulaC32H51N5O7
global charge0
mol weight617.788
InChIKeyNSLIVCMCAULZET-WFJLUAAKSA-N
InChIInChI=1S/C32H51N5O7/c1-7-19(5)26(33)31(42)37-15-9-10-25(37)29(40)34-23(17-21-11-13-22(38)14-12-21)28(39)36-27(20(6)8-2)30(41)35-24(32(43)44)16-18(3)4/h11-14,18-20,23-27,38H,7-10,15-17,33H2,1-6H3,(H,34,40)(H,35,41)(H,36,39)(H,43,44)/t19-,20-,23+,24+,25+,26-,27-/m1/s1
SMILESCC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)[O-])[C@H](C)CC
MNX internals
InChI (mnx)InChI=1/C32H51N5O7/c1-7-19(5)26(33)31(42)37-15-9-10-25(37)29(40)34-23(17-21-11-13-22(38)14-12-21)28(39)36-27(20(6)8-2)30(41)35-24(32(43)44)16-18(3)4/h11-14,18-20,23-27,38H,7-10,15-17,33H2,1-6H3,(H,34,40)(H,35,41)(H,36,39)(H,43,44)/t19-,20-,23+,24+,25+,26-,27-/m1/s1 Image of MNXM1103729
SMILES (mnx)[CH3:1][CH2:7][C@@H:19]([CH3:5])[C@H:26]([C:31]([N:37]1[CH2:15][CH2:9][CH2:10][C@H:25]1[C:29](=[N:34][C@@H:23]([CH2:17][C:21]1=[CH:12][CH:14]=[C:22]([OH:38])[CH:13]=[CH:11]1)[C:28](=[N:36][C@H:27]([C@H:20]([CH3:6])[CH2:8][CH3:2])[C:30](=[N:35][C@@H:24]([CH2:16][CH:18]([CH3:3])[CH3:4])[C:32](=[O:43])[OH:44])[OH:41])[OH:39])[OH:40])=[O:42])[NH2:33]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:CE5797
biggM:CE5797
NSLIVCMCAULZET-WFJLUAAKSA-N 		Neuromedin N
hmdb:HMDB0013022
NSLIVCMCAULZET-WFJLUAAKSA-N 		Neuromedin N
(2S)-2-[(2R,3R)-2-[(2S)-2-{[(2S)-1-[(2R,3R)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-4-methylpentanoic acid
(2S)-2-{[(2R,3R)-2-{[(2S)-2-({[(2S)-1-[(2R,3R)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-1-hydroxy-3-methylpentylidene]amino}-4-methylpentanoate
NN

vmhM:CE5797
vmhmetabolite:CE5797
NSLIVCMCAULZET-WFJLUAAKSA-N 		neuromedin N
(2S)-2-[(2R,3R)-2-[(2S)-2-{[(2S)-1-[(2R,3R)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-4-methylpentanoic acid

hmdb:HMDB13022
biggM:M_CE5797
vmhM:M_CE5797 		secondary/obsolete/fantasy identifier