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Neuromedin N (1-4)

PropertiesImage
MNX_IDMNXM64500 Image of MNXM64500
referencechebi:176195
formulaC26H40N4O6
global charge0
mol weight504.628
InChIKeySKGLAZSLOGYCCA-PEFXOJROSA-N
InChIInChI=1S/C26H40N4O6/c1-5-15(3)21(27)25(34)30-13-7-8-20(30)24(33)28-19(14-17-9-11-18(31)12-10-17)23(32)29-22(26(35)36)16(4)6-2/h9-12,15-16,19-22,31H,5-8,13-14,27H2,1-4H3,(H,28,33)(H,29,32)(H,35,36)/t15-,16-,19+,20+,21-,22-/m1/s1
SMILESCC[C@@H](C)[C@@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](C(=O)O)[C@H](C)CC
MNX internals
InChI (mnx)InChI=1/C26H40N4O6/c1-5-15(3)21(27)25(34)30-13-7-8-20(30)24(33)28-19(14-17-9-11-18(31)12-10-17)23(32)29-22(26(35)36)16(4)6-2/h9-12,15-16,19-22,31H,5-8,13-14,27H2,1-4H3,(H,28,33)(H,29,32)(H,35,36)/t15-,16-,19+,20+,21-,22-/m1/s1 Image of MNXM64500
SMILES (mnx)[CH3:1][CH2:5][C@@H:15]([CH3:3])[C@H:21]([C:25]([N:30]1[CH2:13][CH2:7][CH2:8][C@H:20]1[C:24](=[N:28][C@@H:19]([CH2:14][C:17]1=[CH:10][CH:12]=[C:18]([OH:31])[CH:11]=[CH:9]1)[C:23](=[N:29][C@H:22]([C@H:16]([CH3:4])[CH2:6][CH3:2])[C:26](=[O:35])[OH:36])[OH:32])[OH:33])=[O:34])[NH2:27]
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

CHEBI:176195
chebi:176195
SKGLAZSLOGYCCA-PEFXOJROSA-N 		Neuromedin N (1-4)
(2R,3R)-2-[[(2S)-2-[[(2S)-1-[(2R,3R)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoic acid

bigg.metabolite:CE5798
biggM:CE5798
SKGLAZSLOGYCCA-PEFXOJROSA-N 		Neuromedin N (1-4)
hmdb:HMDB0013021
SKGLAZSLOGYCCA-PEFXOJROSA-N 		Neuromedin N (1-4)
(2R,3R)-2-[(2S)-2-{[(2S)-1-[(2R,3R)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-methylpentanoic acid
(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}-3-methylpentanoate
Ile-pro-tyr-ile

vmhM:CE5798
vmhmetabolite:CE5798
SKGLAZSLOGYCCA-PEFXOJROSA-N 		neuromedin N (1-4)
(2R,3R)-2-[(2S)-2-{[(2S)-1-[(2R,3R)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-methylpentanoic acid

hmdb:HMDB13021
biggM:M_CE5798
vmhM:M_CE5798 		secondary/obsolete/fantasy identifier