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Apelin (1-12)

MNXM152293 is deprecated and here replaced by MNXM1107838
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM1107838Image of MNXM1107838
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 3
formulaC60H105N22O15S
charge3
mass1405.7834
referencebiggM:CE4724
InChIKeyZBIHGPXAEDFPEJ-AOOBOKMPSA-R
InChIInChI=1S/C60H101N22O15S/c1-33(2)27-40(77-50(88)37(12-6-21-69-59(64)65)74-55(93)44-15-9-24-81(44)56(94)38(13-7-22-70-60(66)67)75-48(86)35(62)17-18-46(63)84)51(89)79-42(31-83)53(91)78-41(28-34-29-68-32-72-34)52(90)73-36(11-4-5-20-61)49(87)71-30-47(85)80-23-8-14-43(80)54(92)76-39(19-26-98-3)57(95)82-25-10-16-45(82)58(96)97/h29,32-33,35-45H,4-28,30-31,61-62H2,1-3H3,(H2,63,84)(H,68,72)(H,71,87)(H,73,90)(H,74,93)(H,75,86)(H,76,92)(H,77,88)(H,78,91)(H,79,89)(H,96,97)(H4,64,65,69)(H4,66,67,70)/q-1/p+4/t35-,36-,37-,38+,39-,40+,41+,42-,43+,44+,45-/m1/s1
SMILESCSCC[C@@H]([NH+]=C([O-])[C@@H]1CCCN1C(=O)C[NH+]=C([O-])[C@@H](CCCC[NH3+])[NH+]=C([O-])[C@H](Cc1c[nH+]c[nH]1)[NH+]=C([O-])[C@@H](C[O-])[NH+]=C([O-])[C@H](CC(C)C)[NH+]=C([O-])[C@@H](CCCNC(N)=[NH2+])[NH+]=C([O-])[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])[NH+]=C([O-])[C@H]([NH3+])CCC(=[NH2+])[O-])C(=O)N1CCC[C@@H]1C(=O)[O-]
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Similar chemical compounds in external resources
IdentifierDescription
bigg.metabolite:CE4724
biggM:CE4724 		Apelin (1-12)
biggM:M_CE4724 secondary/obsolete/fantasy identifier