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beta-casomorphin-7

Properties

Image

Occurences in reactions

MNX_ID

MNXM1094941

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	1

formula

C₄₄H₆₀N₇O₁₁

charge

-1

mass

862.43563

reference

chebi:147390

InChIKey

ADBHAJDGVKLXHK-LMXUZNBISA-M

InChI

InChI=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

SMILES

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(C)C)C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:147390 chebi:147390	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	beta-Casomorphin
CHEBI:149635 chebi:149635	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