input word = C00054282

Metabolite InformationStructural formula
Name Momordica cochinchinensis Cytotoxic peptide 2
Formula C131H208N40O40S6
Mw 3173.3795762
CAS RN 1175560-59-4
C_ID C00054282
InChIKey QMINERUCTZDTOL-PZZYYIRSSA-N
InChICode InChI=1S/C131H208N40O40S6/c1-11-66(8)103(124(205)163-88(62-217)118(199)158-80(54-172)113(194)159-82(56-174)129(210)211)165-99(184)53-147-122(203)101(64(4)5)164-98(183)52-146-119(200)89-31-21-41-171(89)128(209)105(68(10)176)168-123(204)102(65(6)7)166-125(206)104(67(9)175)167-121(202)91-33-23-40-170(91)127(208)79(44-70-46-140-72-27-16-15-26-71(70)72)156-117(198)87(61-216)161-110(191)74(30-20-38-139-131(136)137)153-116(197)86(60-215)151-95(180)49-142-93(178)47-141-94(179)48-143-107(188)83(57-212)160-114(195)81(55-173)157-109(190)73(29-19-37-138-130(134)135)152-112(193)78(43-69-24-13-12-14-25-69)155-111(192)77(42-63(2)3)149-97(182)51-145-108(189)84(58-213)162-120(201)90-32-22-39-169(90)126(207)76(28-17-18-36-132)148-96(181)50-144-106(187)75(34-35-100(185)186)154-115(196)85(59-214)150-92(177)45-133/h12-16,24-27,46,63-68,73-91,101-105,140,172-176,212-217H,11,17-23,28-45,47-62,132-133H2,1-10H3,(H,141,179)(H,142,178)(H,143,188)(H,144,187)(H,145,189)(H,146,200)(H,147,203)(H,148,181)(H,149,182)(H,150,177)(H,151,180)(H,152,193)(H,153,197)(H,154,196)(H,155,192)(H,156,198)(H,157,190)(H,158,199)(H,159,194)(H,160,195)(H,161,191)(H,162,201)(H,163,205)(H,164,183)(H,165,184)(H,166,206)(H,167,202)(H,168,204)(H,185,186)(H,210,211)(H4,134,135,138)(H4,136,137,139)/t66-,67+,68+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,101-,102-,103-,104-,105-/m0/s1
SMILES NCC(N[C@@H](CS)C(N[C@@H](CCC(O)=O)C(NCC(N[C@@H](CCCCN)C(N(CCC1)[C@@H]1C(N[C@@H](CS)C(NCC(N[C@@H](CC(C)C)C(N[C@@H](CC2=CC=CC=C2)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CO)C(N[C@@H](CS)C(NCC(NCC(NCC(N[C@@H](CS)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CS)C(N[C@@H](CC3=CNC4=C3C=CC=C4)C(N5CCC[C@H]5C(N[C@@H]([C@H](O)C)C(N[C@@H](C(C)C)C(N[C@@H]([C@@H](C)O)C(N6[C@H](C(NCC(N[C@@H](C(C)C)C(NCC(N[C@@H]([C@@H](C)CC)C(N[C@@H](CS)C(N[C@@H](CO)C(N[C@@H](CO)C(O)=O)=O)=O)=O)=O)=O)=O)=O)CCC6)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica cochinchinensis Ref.
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