Search MNXref
 Feedback

desmosine

PropertiesImage
MNX_IDMNXM49199 Image of MNXM49199
referencechebi:37628
formulaC24H40N5O8
global charge1
mol weight526.611
InChIKeyVEVRNHHLCPGNDU-MUGJNUQGSA-O
InChIInChI=1S/C24H39N5O8/c25-17(21(30)31)5-1-2-11-29-12-14(7-9-19(27)23(34)35)16(4-3-6-18(26)22(32)33)15(13-29)8-10-20(28)24(36)37/h12-13,17-20H,1-11,25-28H2,(H3-,30,31,32,33,34,35,36,37)/p+1/t17-,18-,19-,20-/m0/s1
SMILESN[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O)=C1)C(=O)O
MNX internals
InChI (mnx)InChI=1/C24H39N5O8/c25-17(21(30)31)5-1-2-11-29-12-14(7-9-19(27)23(34)35)16(4-3-6-18(26)22(32)33)15(13-29)8-10-20(28)24(36)37/h12-13,17-20H,1-11,25-28H2,(H3-,30,31,32,33,34,35,36,37)/t17-,18-,19-,20-/m0/s1 Image of MNXM49199
SMILES (mnx)[CH2:1]([CH2:2][CH2:11][N+:29]1=[CH:13][C:15]([CH2:8][CH2:10][C@@H:20]([C:24](=[O:36])[O-:37])[NH2:28])=[C:16]([CH2:4][CH2:3][CH2:6][C@@H:18]([C:22](=[O:32])[OH:33])[NH2:26])[C:14]([CH2:7][CH2:9][C@@H:19]([C:23](=[O:34])[OH:35])[NH2:27])=[CH:12]1)[CH2:5][C@@H:17]([C:21](=[O:30])[OH:31])[NH2:25]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:37628
chebi:37628
VEVRNHHLCPGNDU-MUGJNUQGSA-O 		desmosine
4-[(4S)-4-amino-4-carboxybutyl]-1-[(5S)-5-amino-5-carboxypentyl]-3,5-bis[(3S)-3-amino-3-carboxypropyl]pyridinium
Des
hmdb:HMDB0000572
VEVRNHHLCPGNDU-MUGJNUQGSA-O 		Desmosine
3,5-bis[(3S)-3-amino-3-carboxypropyl]-4-[(4S)-4-amino-4-carboxybutyl]-1-[(5S)-5-amino-5-carboxypentyl]pyridin-1-ium
4-(4-Amino-4-carboxybutyl)-1-(5-amino-5-carboxypentyl)-3,5-bis(3-amino-3-carboxypropyl)pyridinium
Des
desmosine

metacyc.compound:CPD-20415
metacycM:CPD-20415
seed.compound:cpd32417
seedM:cpd32417
VEVRNHHLCPGNDU-MUGJNUQGSA-O 		desmosine

hmdb:HMDB00572
seedM:M_cpd32417 		secondary/obsolete/fantasy identifier