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beta-casomorphin-7

MNXM163311 is deprecated and here replaced by MNXM1094941
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1094941 Image of MNXM1094941
referencechebi:147390
formulaC44H60N7O11
global charge-1
mol weight863.002
InChIKeyADBHAJDGVKLXHK-LMXUZNBISA-M
InChIInChI=1S/C44H61N7O11/c1-5-26(4)37(44(61)62)49-40(57)34-14-10-22-51(34)43(60)31(19-20-35(53)54)46-41(58)36(25(2)3)48-38(55)32(24-27-11-7-6-8-12-27)47-39(56)33-13-9-21-50(33)42(59)30(45)23-28-15-17-29(52)18-16-28/h6-8,11-12,15-18,25-26,30-34,36-37,52H,5,9-10,13-14,19-24,45H2,1-4H3,(H,46,58)(H,47,56)(H,48,55)(H,49,57)(H,53,54)(H,61,62)/p-1/t26-,30-,31-,32-,33-,34-,36-,37-/m0/s1
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CC1=CC=C(O)C=C1)C(C)C)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C44H61N7O11/c1-5-26(4)37(44(61)62)49-40(57)34-14-10-22-51(34)43(60)31(19-20-35(53)54)46-41(58)36(25(2)3)48-38(55)32(24-27-11-7-6-8-12-27)47-39(56)33-13-9-21-50(33)42(59)30(45)23-28-15-17-29(52)18-16-28/h6-8,11-12,15-18,25-26,30-34,36-37,52H,5,9-10,13-14,19-24,45H2,1-4H3,(H,46,58)(H,47,56)(H,48,55)(H,49,57)(H,53,54)(H,61,62)/t26-,30-,31-,32-,33-,34-,36-,37-/m0/s1 Image of MNXM1094941
SMILES (mnx)[CH3:1][CH2:5][C@H:26]([CH3:4])[C@@H:37]([C:44](=[O:61])[OH:62])[N:49]=[C:40]([C@@H:34]1[CH2:14][CH2:10][CH2:22][N:51]1[C:43]([C@H:31]([CH2:19][CH2:20][C:35](=[O:53])[OH:54])[N:46]=[C:41]([C@H:36]([CH:25]([CH3:2])[CH3:3])[N:48]=[C:38]([C@H:32]([CH2:24][C:27]1=[CH:11][CH:7]=[CH:6][CH:8]=[CH:12]1)[N:47]=[C:39]([C@@H:33]1[CH2:13][CH2:9][CH2:21][N:50]1[C:42]([C@H:30]([CH2:23][C:28]1=[CH:16][CH:18]=[C:29]([OH:52])[CH:17]=[CH:15]1)[NH2:45])=[O:59])[OH:56])[OH:55])[OH:58])=[O:60])[OH:57]
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:147390
chebi:147390
ADBHAJDGVKLXHK-LMXUZNBISA-M 		beta-casomorphin-7
1-[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]-L-prolyl-L-phenylalanyl-L-valyl-5-oxidanidyl-5-oxidanylidene-L-norvalyl-N-[(1S,2S)-1-carboxylato-2-methylbutyl]-L-prolinamide
L-tyrosyl-L-prolyl-L-phenylalanyl-L-valyl-L-alpha-glutamyl-L-prolyl-L-isoleucine(1-)
Tyr-Pro-Phe-Val-Glu-Pro-Ile(1-)
beta-casomorphin-7 (human)(1-)

sabiork.compound:28687
sabiorkM:28687
ADBHAJDGVKLXHK-LMXUZNBISA-N 		beta-Casomorphin

CHEBI:149635
chebi:149635
ADBHAJDGVKLXHK-LMXUZNBISA-N 		beta-casomorphin-7 (human)
H-Tyr-Pro-Phe-Val-Glu-Pro-Ile-OH
L-Tyr-L-Pro-L-Phe-L-Val-L-Glu-L-Pro-L-Ile
L-tyrosyl-L-prolyl-L-phenylalanyl-L-valyl-L-alpha-glutamyl-L-prolyl-L-isoleucine
NH2-Tyr-Pro-Phe-Val-Glu-Pro-Ile-COOH
Tyr-Pro-Phe-Val-Glu-Pro-Ile
Y-P-F-V-E-P-I
YPFVEPI
human beta-casomorphin (1-7)
human beta-casomorphin-7