**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

Heme A

Properties Image MNX_ID MNXM1583472 reference biggM:hemeA formula C49H56FeN4O6 global charge 0 mol weight 852.854 InChIKey   InChI   SMILES C=CC1=C(C)C2=Cc3c([C@@H](O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(C)c4n3[Fe]35<-N2=C1C=c1c(C)c(CCC(=O)O)c(n13)=CC1=N->5C(=C4)C(C=O)=C1CCC(=O)O MNX internals InChI (mnx) InChI=1/C49H58N4O6.Fe/c1-9-34-31(6)39-25-45-49(46(55)18-12-17-30(5)16-11-15-29(4)14-10-13-28(2)3)33(8)40(52-45)24-44-37(27-54)36(20-22-48(58)59)43(53-44)26-42-35(19-21-47(56)57)32(7)38(51-42)23-41(34)50-39;/h9,13,15,17,23-27,46,51-52,55H,1,10-12,14,16,18-22H2,2-8H3,(H,56,57)(H,58,59);/q;+2/b29-15+,30-17+,38-23-,39-25-,40-24-,41-23-,42-26-,43-26-,44-24-,45-25-;/t46-;/m0./s1 SMILES (mnx) [C:1]12=[CH:16]\[C:15]3=[CH:14]/[C:13](=[CH:12]/[C:11]4=[C:26]([CH2:29][CH2:30][C:31]([CH3:32])=[CH2:33])[C:27]([CH3:28])=[C:9](/[CH:8]=[C:7]5\[CH:6]=[C:5]([CH:4]=[C:3]([CH2:2]/1)[C:39]([C@H:42]([CH2:43][CH2:44]/[CH:45]=[C:46](\[CH3:47])[CH2:48][CH2:49]/[N:50]=[N:51](\[NH:52][NH:53][O:54]=[O:55]([OH:56])[OH:57])[OH:58])[OH:59])=[C:40]2[CH3:41])[C:35]([CH3:36])=[C:34]5[CH:37]=[CH2:38])[CH2:10]4)[C:18]([CH2:19][CH2:20][C:21]([CH3:22])=[CH2:23])=[C:17]3[CH:24]=[CH2:25].[Fe+2:60]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 12 in models (compartimentalized) 7

Similar chemical compounds in external resources

Identifier	Description
bigg.metabolite:hemeA biggM:hemeA	Heme A
biggM:M_hemeA	secondary/obsolete/fantasy identifier