input word = C00055103

Metabolite InformationStructural formula
Name AVQSKPPSKRDPPKMQTD
Formula C85H144N26O28S
Mw 2009.03640894
CAS RN 137181-56-7
C_ID C00055103
InChIKey RAPQZUTWEHDGAT-KEPHFFBJSA-N
InChICode InChI=1S/C85H144N26O28S/c1-43(2)65(106-67(121)44(3)89)78(132)100-50(23-25-61(90)115)71(125)104-56(41-112)75(129)101-53(18-8-11-31-88)82(136)111-35-15-22-60(111)83(137)110-34-14-21-59(110)77(131)105-57(42-113)74(128)96-47(16-6-9-29-86)68(122)95-49(19-12-32-94-85(92)93)70(124)102-54(38-63(117)118)81(135)108-36-27-46(40-108)80(134)109-33-13-20-58(109)76(130)99-48(17-7-10-30-87)69(123)98-52(28-37-140-5)72(126)97-51(24-26-62(91)116)73(127)107-66(45(4)114)79(133)103-55(84(138)139)39-64(119)120/h43-60,65-66,112-114H,6-42,86-89H2,1-5H3,(H2,90,115)(H2,91,116)(H,95,122)(H,96,128)(H,97,126)(H,98,123)(H,99,130)(H,100,132)(H,101,129)(H,102,124)(H,103,133)(H,104,125)(H,105,131)(H,106,121)(H,107,127)(H,117,118)(H,119,120)(H,138,139)(H4,92,93,94)/t44-,45+,46+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,65-,66-/m0/s1
SMILES CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCN(C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeLycopersicon esculentum Ref.
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