CHEBI:125652 - LSM-37213

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-37213
ChEBI ID CHEBI:125652
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C105H173N39O23S
Net Charge 0
Average Mass 2381.815
Monoisotopic Mass 2380.32872
InChI InChI=1S/C105H173N39O23S/c1-11-57(6)80(96(165)144-105(10)36-19-15-13-12-14-18-35-104(9,143-95(164)69(31-24-41-124-103(115)116)133-94(163)77(52-168)138-89(158)72(44-56(4)5)139-98(105)167)97(166)140-75(47-62-50-118-54-127-62)92(161)136-74(46-61-49-117-53-126-61)91(160)137-76(51-145)93(162)142-81(58(7)146)82(106)151)141-87(156)68(30-23-40-123-102(113)114)131-83(152)65(27-20-37-120-99(107)108)129-84(153)66(28-21-38-121-100(109)110)132-88(157)71(43-55(2)3)135-85(154)67(29-22-39-122-101(111)112)130-86(155)70(32-33-79(149)150)134-90(159)73(128-78(148)34-42-119-59(8)147)45-60-48-125-64-26-17-16-25-63(60)64/h12-13,16-17,25-26,48-50,53-58,65-77,80-81,125,145-146,168H,11,14-15,18-24,27-47,51-52H2,1-10H3,(H2,106,151)(H,117,126)(H,118,127)(H,119,147)(H,128,148)(H,129,153)(H,130,155)(H,131,152)(H,132,157)(H,133,163)(H,134,159)(H,135,154)(H,136,161)(H,137,160)(H,138,158)(H,139,167)(H,140,166)(H,141,156)(H,142,162)(H,143,164)(H,144,165)(H,149,150)(H4,107,108,120)(H4,109,110,121)(H4,111,112,122)(H4,113,114,123)(H4,115,116,124)/t57-,58+,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,80-,81-,104+,105+/m0/s1
InChIKey ZEYVWTPUGCVPPJ-HVHKEXCISA-N
SMILES CC[C@H](C)[C@@H](C(=O)N[C@@]1(CCCC=CCCC[C@](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(C)C)CS)CCCNC(=N)N)(C)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CC3=CNC=N3)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)CCNC(=O)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing LSM-37213 (CHEBI:125652) is a polypeptide (CHEBI:15841)
Manual Xref Database
LSM-37213 LINCS
View more database links