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hemozoin

PropertiesImage
MNX_IDMNXM18329 Image of MNXM18329
referencemetacycM:CPD-11679
formulaC272H240Fe8N32O32
global charge16
mol weight4915.864
InChIKeyQWVCORRMMBGAID-PCCOZJPXSA-A
InChIInChI=1S/8C34H34N4O4.8Fe/c8*1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;;;;;;;/h8*7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);;;;;;;;/q;;;;;;;;8*+6/p-32/b8*25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;;;;;;;
SMILESC=CC1=C2/C=C3\N=C(/C=C4\N=C(/C=C5[N-]C(=C\C(=C1C)[N-]2)/C(C=C)=C\5C)C(C)=C4CCC(=O)[O-])C(CCC(=O)[O-])=C3C.C=CC1=C2/C=C3\N=C(/C=C4\N=C(/C=C5[N-]C(=C\C(=C1C)[N-]2)/C(C=C)=C\5C)C(C)=C4CCC(=O)[O-])C(CCC(=O)[O-])=C3C.C=CC1=C2/C=C3\N=C(/C=C4\N=C(/C=C5[N-]C(=C\C(=C1C)[N-]2)/C(C=C)=C\5C)C(C)=C4CCC(=O)[O-])C(CCC(=O)[O-])=C3C.C=CC1=C2/C=C3\N=C(/C=C4\N=C(/C=C5[N-]C(=C\C(=C1C)[N-]2)/C(C=C)=C\5C)C(C)=C4CCC(=O)[O-])C(CCC(=O)[O-])=C3C.C=CC1=C2/C=C3\N=C(/C=C4\N=C(/C=C5[N-]C(=C\C(=C1C)[N-]2)/C(C=C)=C\5C)C(C)=C4CCC(=O)[O-])C(CCC(=O)[O-])=C3C.C=CC1=C2/C=C3\N=C(/C=C4\N=C(/C=C5[N-]C(=C\C(=C1C)[N-]2)/C(C=C)=C\5C)C(C)=C4CCC(=O)[O-])C(CCC(=O)[O-])=C3C.C=CC1=C2/C=C3\N=C(/C=C4\N=C(/C=C5[N-]C(=C\C(=C1C)[N-]2)/C(C=C)=C\5C)C(C)=C4CCC(=O)[O-])C(CCC(=O)[O-])=C3C.C=CC1=C2/C=C3\N=C(/C=C4\N=C(/C=C5[N-]C(=C\C(=C1C)[N-]2)/C(C=C)=C\5C)C(C)=C4CCC(=O)[O-])C(CCC(=O)[O-])=C3C.[Fe+6].[Fe+6].[Fe+6].[Fe+6].[Fe+6].[Fe+6].[Fe+6].[Fe+6]
MNX internals
InChI (mnx)InChI=1/8C34H34N4O4.8Fe/c8*1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;;;;;;;/h8*7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);;;;;;;;/q;;;;;;;;8*+6/b25-13?,26-13-,27-14-,28-15?,29-14?,30-15-,31-16?,32-16-;25-13-,26-13-,27-14-,28-15?,29-14?,30-15-,31-16?,32-16-;6*25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;;;;;;; Image of MNXM18329
SMILES (mnx)[CH2:127]=[CH:133][C:147]1=[C:143]([CH3:129])/[C:151]2=[CH:139]/[C:152]3=[N:163]/[C:157](=[CH:142]\[C:158]4=[N:164]/[C:154](=[CH:141]\[C:156]5=[C:148]([CH:134]=[CH2:128])[C:144]([CH3:130])=[C:153](/[CH:140]=[C:155]/1[N-:161]2)[NH:162]5)[C:146]([CH3:132])=[C:150]4[CH2:136][CH2:138][C:160](=[O:167])[OH:168])[C:149]([CH2:135][CH2:137][C:159](=[O:165])[OH:166])=[C:145]3[CH3:131].[CH2:169]=[CH:175][C:189]1=[C:185]([CH3:171])/[C:193]2=[CH:181]/[C:194]3=[N:205]/[C:199](=[CH:184]\[C:200]4=[N:206]/[C:196](=[CH:183]\[C:198]5=[C:190]([CH:176]=[CH2:170])[C:186]([CH3:172])=[C:195](/[CH:182]=[C:197]/1[N-:203]2)[NH:204]5)[C:188]([CH3:174])=[C:192]4[CH2:178][CH2:180][C:202](=[O:209])[OH:210])[C:191]([CH2:177][CH2:179][C:201](=[O:207])[OH:208])=[C:187]3[CH3:173].[CH2:1]=[CH:7][C:21]1=[C:17]([CH3:3])/[C:25]2=[CH:13]/[C:26]3=[N:37][C:31](=[CH:16][C:32]4=[N:38][C:28](=[CH:15][C:30]5=[C:22]([CH:8]=[CH2:2])[C:18]([CH3:4])=[C:27]([CH:14]=[C:29]1[N-:35]2)[NH2+:36]5)[C:20]([CH3:6])=[C:24]4[CH2:10][CH2:12][C:34](=[O:41])[OH:42])[C:23]([CH2:9][CH2:11][C:33](=[O:39])[OH:40])=[C:19]3[CH3:5].[CH2:211]=[CH:217][C:231]1=[C:227]([CH3:213])/[C:235]2=[CH:223]/[C:236]3=[N:247]/[C:241](=[CH:226]\[C:242]4=[N:248]/[C:238](=[CH:225]\[C:240]5=[C:232]([CH:218]=[CH2:212])[C:228]([CH3:214])=[C:237](/[CH:224]=[C:239]/1[N-:245]2)[NH:246]5)[C:230]([CH3:216])=[C:234]4[CH2:220][CH2:222][C:244](=[O:251])[OH:252])[C:233]([CH2:219][CH2:221][C:243](=[O:249])[OH:250])=[C:229]3[CH3:215].[CH2:253]=[CH:259][C:273]1=[C:269]([CH3:255])/[C:277]2=[CH:265]/[C:278]3=[N:289]/[C:283](=[CH:268]\[C:284]4=[N:290]/[C:280](=[CH:267]\[C:282]5=[C:274]([CH:260]=[CH2:254])[C:270]([CH3:256])=[C:279](/[CH:266]=[C:281]/1[N-:287]2)[NH:288]5)[C:272]([CH3:258])=[C:276]4[CH2:262][CH2:264][C:286](=[O:293])[OH:294])[C:275]([CH2:261][CH2:263][C:285](=[O:291])[OH:292])=[C:271]3[CH3:257].[CH2:295]=[CH:301][C:315]1=[C:311]([CH3:297])/[C:319]2=[CH:307]/[C:320]3=[N:331]/[C:325](=[CH:310]\[C:326]4=[N:332]/[C:322](=[CH:309]\[C:324]5=[C:316]([CH:302]=[CH2:296])[C:312]([CH3:298])=[C:321](/[CH:308]=[C:323]/1[N-:329]2)[NH:330]5)[C:314]([CH3:300])=[C:318]4[CH2:304][CH2:306][C:328](=[O:335])[OH:336])[C:317]([CH2:303][CH2:305][C:327](=[O:333])[OH:334])=[C:313]3[CH3:299].[CH2:43]=[CH:49][C:63]1=[C:59]([CH3:45])[C:67]2=[CH:55][C:68]3=[NH+:79][C:73](=[CH:58][C:74]4=[NH+:80][C:70](=[CH:57][C:72]5=[C:64]([CH:50]=[CH2:44])[C:60]([CH3:46])=[C:69]([CH:56]=[C:71]1[N-:77]2)[NH2+:78]5)[C:62]([CH3:48])=[C:66]4[CH2:52][CH2:54][C:76](=[OH+:83])[OH2+:84])[C:65]([CH2:51][CH2:53][C:75](=[OH+:81])[OH2+:82])=[C:61]3[CH3:47].[CH2:85]=[CH:91][C:105]1=[C:101]([CH3:87])/[C:109]2=[CH:97]/[C:110]3=[N:121]/[C:115](=[CH:100]\[C:116]4=[N:122]/[C:112](=[CH:99]\[C:114]5=[C:106]([CH:92]=[CH2:86])[C:102]([CH3:88])=[C:111](/[CH:98]=[C:113]/1[N-:119]2)[NH:120]5)[C:104]([CH3:90])=[C:108]4[CH2:94][CH2:96][C:118](=[O:125])[OH:126])[C:107]([CH2:93][CH2:95][C:117](=[O:123])[OH:124])=[C:103]3[CH3:89].[Fe+6:337].[Fe+6:338].[Fe+6:339].[Fe+6:340].[Fe+6:341].[Fe+6:342].[Fe+6:343].[Fe+6:344]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-11679
metacycM:CPD-11679
QWVCORRMMBGAID-PCCOZJPXSA-A 		hemozoin
malaria pigment

seed.compound:cpd23055
seedM:cpd23055 		Hemozoin
hemozoin
malaria pigment

seedM:M_cpd23055 		secondary/obsolete/fantasy identifier