CHEBI:125534 - LSM-37045

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ChEBI Name LSM-37045
ChEBI ID CHEBI:125534
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C101H174N32O23S
Net Charge 0
Average Mass 2236.733
Monoisotopic Mass 2235.31503
InChI InChI=1S/C101H174N32O23S/c1-17-57(10)78(131-86(147)66(31-27-45-116-99(110)111)121-82(143)64(29-25-43-114-97(106)107)120-83(144)65(30-26-44-115-98(108)109)123-92(153)77(56(8)9)130-75(137)38-46-112-60(13)134)93(154)133-101(15)41-23-21-19-18-20-22-40-100(14,132-91(152)71(50-55(6)7)127-88(149)70(49-54(4)5)125-85(146)68(39-47-157-16)129-95(101)156)94(155)118-59(12)80(141)117-58(11)81(142)124-73(52-74(102)136)90(151)128-72(51-61-32-34-62(135)35-33-61)89(150)126-69(48-53(2)3)87(148)122-67(36-37-76(138)139)84(145)119-63(79(103)140)28-24-42-113-96(104)105/h18-19,32-35,53-59,63-73,77-78,135H,17,20-31,36-52H2,1-16H3,(H2,102,136)(H2,103,140)(H,112,134)(H,117,141)(H,118,155)(H,119,145)(H,120,144)(H,121,143)(H,122,148)(H,123,153)(H,124,142)(H,125,146)(H,126,150)(H,127,149)(H,128,151)(H,129,156)(H,130,137)(H,131,147)(H,132,152)(H,133,154)(H,138,139)(H4,104,105,113)(H4,106,107,114)(H4,108,109,115)(H4,110,111,116)/t57-,58-,59-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,77-,78-,100+,101+/m0/s1
InChIKey DNJXIKBPVUVUQW-MBOMYQBVSA-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)CCSC)CC(C)C)CC(C)C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](C(C)C)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 )
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ChEBI Ontology
Outgoing LSM-37045 (CHEBI:125534) is a polypeptide (CHEBI:15841)
Manual Xref Database
LSM-37045 LINCS
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