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deferrichrome

MNXM53290 is deprecated and here replaced by MNXM1107427
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1107427 Image of MNXM1107427
referencechebi:90132
formulaC27H45N9O12
global charge0
mol weight687.708
InChIKeyZFDAUYPBCXMSBF-ACRUOGEOSA-N
InChIInChI=1S/C27H45N9O12/c1-16(37)34(46)10-4-7-19-25(43)30-14-23(41)28-13-22(40)29-15-24(42)31-20(8-5-11-35(47)17(2)38)26(44)33-21(27(45)32-19)9-6-12-36(48)18(3)39/h19-21,46-48H,4-15H2,1-3H3,(H,28,41)(H,29,40)(H,30,43)(H,31,42)(H,32,45)(H,33,44)/t19-,20-,21-/m0/s1
SMILESCC(=O)N(O)CCC[C@@H]1NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCCN(O)C(C)=O)NC(=O)[C@H](CCCN(O)C(C)=O)NC1=O
MNX internals
InChI (mnx)InChI=1/C27H45N9O12/c1-16(37)34(46)10-4-7-19-25(43)30-14-23(41)28-13-22(40)29-15-24(42)31-20(8-5-11-35(47)17(2)38)26(44)33-21(27(45)32-19)9-6-12-36(48)18(3)39/h19-21,46-48H,4-15H2,1-3H3,(H,28,41)(H,29,40)(H,30,43)(H,31,42)(H,32,45)(H,33,44)/t19-,20-,21-/m0/s1 Image of MNXM1107427
SMILES (mnx)[CH3:1][C:16]([N:34]([CH2:10][CH2:4][CH2:7][C@H:19]1[C:25]([OH:43])=[N:30][CH2:14][C:23]([OH:41])=[N:28][CH2:13][C:22]([OH:40])=[N:29][CH2:15][C:24]([OH:42])=[N:31][C@@H:20]([CH2:8][CH2:5][CH2:11][N:35]([C:17]([CH3:2])=[O:38])[OH:47])[C:26]([OH:44])=[N:33][C@@H:21]([CH2:9][CH2:6][CH2:12][N:36]([C:18]([CH3:3])=[O:39])[OH:48])[C:27]([OH:45])=[N:32]1)[OH:46])=[O:37]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 7
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:90132
chebi:90132
ZFDAUYPBCXMSBF-ACRUOGEOSA-N 		deferrichrome
N-Desferriferrichrome
N-Dffc
cyclo(glycyl-N(5)-acetyl-N(5)-hydroxy-L-ornithyl-N(5)-acetyl-N(5)-hydroxy-L-ornithyl-N(5)-acetyl-N(5)-hydroxy-L-ornithylglycylglycyl)
desferrichrome
ferrichrome with no bound iron

bigg.metabolite:fecrm_un
biggM:fecrm_un
ZFDAUYPBCXMSBF-ACRUOGEOSA-N 		Ferrichrome minus Fe(III)

seed.compound:cpd15462
seedM:cpd15462
ZFDAUYPBCXMSBF-ACRUOGEOSA-N 		Ferrichrome minus Fe(III)
fecrm-un
ferrichrome minus Fe(III)
ferrichrome with no bound iron

metacyc.compound:CPD0-2205
metacycM:CPD0-2205
ZFDAUYPBCXMSBF-ACRUOGEOSA-N 		apoferrichrome

biggM:M_fecrm_un
seedM:M_cpd15462 		secondary/obsolete/fantasy identifier