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goralatide

PropertiesImage
MNX_IDMNXM1102124 Image of MNXM1102124
referencechebi:190701
formulaC20H32N5O9
global charge-1
mol weight486.502
InChIKeyHJDRXEQUFWLOGJ-AJNGGQMLSA-M
InChIInChI=1S/C20H33N5O9/c1-11(27)22-14(10-26)18(31)24-13(9-16(28)29)17(30)23-12(5-2-3-7-21)19(32)25-8-4-6-15(25)20(33)34/h12-15,26H,2-10,21H2,1H3,(H,22,27)(H,23,30)(H,24,31)(H,28,29)(H,33,34)/p-1/t12-,13-,14-,15-/m0/s1
SMILESCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C20H33N5O9/c1-11(27)22-14(10-26)18(31)24-13(9-16(28)29)17(30)23-12(5-2-3-7-21)19(32)25-8-4-6-15(25)20(33)34/h12-15,26H,2-10,21H2,1H3,(H,22,27)(H,23,30)(H,24,31)(H,28,29)(H,33,34)/t12-,13-,14-,15-/m0/s1 Image of MNXM1102124
SMILES (mnx)[CH3:1][C:11](=[N:22][C@@H:14]([CH2:10][OH:26])[C:18](=[N:24][C@@H:13]([CH2:9][C:16](=[O:28])[OH:29])[C:17](=[N:23][C@@H:12]([CH2:5][CH2:2][CH2:3][CH2:7][NH2:21])[C:19]([N:25]1[CH2:8][CH2:4][CH2:6][C@H:15]1[C:20](=[O:33])[OH:34])=[O:32])[OH:30])[OH:31])[OH:27]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:190701
chebi:190701
HJDRXEQUFWLOGJ-AJNGGQMLSA-M 		goralatide
(2S)-1-(N-{(2S)-2-[(N-acetyl-L-seryl)amino]-3-carboxylatopropanoyl}-6-azaniumyl-L-norleucyl)pyrrolidine-2-carboxylate
Ac-SDKP(1-)
Ac-Ser-Asp-Lys-Pro(1-)
AcSDKP(1-)
N-acetyl-L-Ser-L-Asp-L-Lys-L-Pro(1-)
N-acetyl-L-seryl-L-alpha-aspartyl-L-lysyl-L-proline(1-)
N-acetyl-L-seryl-L-aspartyl-L-lysyl-L-proline(1-)
N-acetyl-Ser-Asp-Lys-Pro(1-)
goralatide(1-)
seraspenide(1-)
hmdb:HMDB0062552
HJDRXEQUFWLOGJ-AJNGGQMLSA-N 		Ac-Ser-Asp-Lys-Pro-OH
(2S)-1-[(2S)-6-Amino-2-{[(2S)-3-carboxy-2-{[(2S)-1,3-dihydroxy-2-[(1-hydroxyethylidene)amino]propylidene]amino}-1-hydroxypropylidene]amino}hexanoyl]pyrrolidine-2-carboxylate
(2S)-1-[(2S)-6-amino-2-{[(2S)-3-carboxy-2-{[(2S)-1,3-dihydroxy-2-[(1-hydroxyethylidene)amino]propylidene]amino}-1-hydroxypropylidene]amino}hexanoyl]pyrrolidine-2-carboxylic acid
Ac-SDKP
Ac-ser-asp-lys-pro
Ac-ser-asp-lys-pro-NH2
AcSDKP
AcSDKP-NH2
Acetyl-N-ser-asp-lys-pro
Acetyl-SDKP
Acetyl-seryl-aspartyl-lysyl-prolinamide
Acetyl-seryl-aspartyl-lysyl-proline
Goralatide
N-Acetyl-ser-asp-lys-pro
Seraspenide

sabiork.compound:27344
sabiorkM:27344
HJDRXEQUFWLOGJ-AJNGGQMLSA-N 		N-Acetyl-Ser-Asp-Lys-Pro

CHEBI:191178
chebi:191178
HJDRXEQUFWLOGJ-AJNGGQMLSA-N 		goralatide
(2S)-1-[(2S)-2-{[(2S)-2-{[(2S)-2-acetamido-3-hydroxypropanoyl]amino}-3-carboxypropanoyl]amino}-6-aminohexanoyl]pyrrolidine-2-carboxylic acid
Ac-L-Ser-L-Asp-L-Lys-L-Pro
Ac-SDKP
Ac-Ser-Asp-Lys-Pro
Ac-Ser-Asp-Lys-Pro-OH
AcSDKP
N-acetyl-L-Ser-L-Asp-L-Lys-L-Pro
N-acetyl-L-seryl-L-alpha-aspartyl-L-lysyl-L-proline
N-acetyl-Ser-Asp-Lys-Pro
N-acetyl-seryl-aspartyl-lysyl-proline
NAcSerAspLysPro
acetyl-N-Ser-Asp-Lys-Pro
acetyl-seryl-aspartyl-lysyl-proline
goralatida
goralatidum
seraspenide

hmdb:HMDB62552
chebi:168934 		secondary/obsolete/fantasy identifier