input word = C00054281

Metabolite InformationStructural formula
Name Momordica cochinchinensis Cytotoxic peptide 1
Formula C134H214N42O43S6
Mw 3291.41741828
CAS RN 1175560-58-3
C_ID C00054281
InChIKey KFYRMHGEVOENOH-UGTAVEGUSA-N
InChICode InChI=1S/C134H214N42O43S6/c1-11-66(8)105(128(214)169-90(62-225)123(209)164-81(53-177)117(203)163-82(54-178)118(204)165-84(56-180)132(218)219)171-101(191)52-151-126(212)103(64(4)5)170-100(190)51-150-124(210)91-30-21-40-176(91)131(217)107(68(10)182)174-127(213)104(65(6)7)172-129(215)106(67(9)181)173-125(211)92-31-22-39-175(92)130(216)80(43-70-45-144-72-26-16-15-25-71(70)72)161-122(208)89(61-224)168-113(199)75(29-20-38-143-134(140)141)157-121(207)88(60-223)155-97(187)48-146-95(185)46-145-96(186)47-147-109(195)86(58-221)167-119(205)83(55-179)162-112(198)74(28-19-37-142-133(138)139)156-116(202)79(42-69-23-13-12-14-24-69)160-115(201)78(41-63(2)3)153-99(189)50-149-110(196)85(57-220)166-114(200)77(32-34-93(137)183)159-111(197)73(27-17-18-36-135)152-98(188)49-148-108(194)76(33-35-102(192)193)158-120(206)87(59-222)154-94(184)44-136/h12-16,23-26,45,63-68,73-92,103-107,144,177-182,220-225H,11,17-22,27-44,46-62,135-136H2,1-10H3,(H2,137,183)(H,145,186)(H,146,185)(H,147,195)(H,148,194)(H,149,196)(H,150,210)(H,151,212)(H,152,188)(H,153,189)(H,154,184)(H,155,187)(H,156,202)(H,157,207)(H,158,206)(H,159,197)(H,160,201)(H,161,208)(H,162,198)(H,163,203)(H,164,209)(H,165,204)(H,166,200)(H,167,205)(H,168,199)(H,169,214)(H,170,190)(H,171,191)(H,172,215)(H,173,211)(H,174,213)(H,192,193)(H,218,219)(H4,138,139,142)(H4,140,141,143)/t66-,67+,68+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,103-,104-,105-,106-,107-/m0/s1
SMILES NCC(N[C@@H](CS)C(N[C@@H](CCC(O)=O)C(NCC(N[C@@H](CCCCN)C(N[C@@H](CCC(N)=O)C(N[C@@H](CS)C(NCC(N[C@@H](CC(C)C)C(N[C@@H](CC1=CC=CC=C1)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](CC2=CNC3=C2C=CC=C3)C(N4CCC[C@H]4C(N[C@@H]([C@H](O)C)C(N[C@@H](C(C)C)C(N[C@@H]([C@@H](C)O)C(N5[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(N[C@@H](CO)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)CCC5)=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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