ferrichrome
Chemical Formula:
C27H42N9O12FE
Molecular Weight:
740.529 Daltons
Monoisotopic Mass:
740.2302349602 Daltons
SMILES:
CC1(N3(CCC[CH]4(C(=O)NCC(=O)NCC(=O)NCC(=O)N[CH]5(CCCN2(O[Fe---]6([O+]=1)([O+]=C(C)2)(O3)([O+]=C(C)N(CCC[CH](C(=O)N4)NC(=O)5)O6))))))
InChI:
1S/C27H42N9O12.Fe/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;/h19-21H,4-15H2,1-3H3,(H,28,41)(H,29,40)(H,30,43)(H,31,42)(H,32,45)(H,33,44);/q-3;+3/t19-,20-,21-;/m0./s1
InChIKey:
Databases
MetaCyc:
CPD0-2241
BiGG:
fecrm
PubChem (CID):
50909795
ChEBI:
5019
KEGG:
C06228
Seed:
cpd03724
MetaNetX:
MNXM2825