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CHEBI:756326 - colimecycline

Default Structure
ChEBI IDCHEBI:756326
ChEBI Namecolimecycline
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC122H172N22O40
Net Charge0
Average Mass2586.832
Monoisotopic Mass2585.21012
SMILES[H][C@@]12[C@@H](O)[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(=O)NCNCC[C@H](NC(=O)CCCCC(C)CC)C(=O)N[C@]([H])(C(=O)N[C@@H](CCNCNC(=O)C1=C(O)[C@@H](N(C)C)[C@]4([H])[C@@H](O)[C@@]5([H])C(=C(O)[C@]4(O)C1=O)C(=O)c1c(O)cccc1[C@@]5(C)O)C(=O)NCC[C@@H]1NC(=O)[C@]([H])([C@@H](C)O)NC(=O)[C@H](CCNCNC(=O)C4=C(O)[C@@H](N(C)C)[C@]5([H])[C@@H](O)[C@@]6([H])C(=C(O)[C@]5(O)C4=O)C(=O)c4c(O)cccc4[C@@]6(C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O)=C(O)[C@H]2N(C)C)C(=O)c1c(O)cccc1[C@@]3(C)O
InChIInChI=1S/C122H172N22O40/c1-18-51(6)24-19-20-31-68(150)132-60(35-41-126-47-130-113(175)76-93(155)87(143(14)15)82-96(158)79-73(99(161)121(82,183)102(76)164)90(152)70-55(118(79,10)180)26-22-29-66(70)148)108(170)140-84(52(7)145)115(177)136-59(34-40-125-46-129-112(174)75-92(154)86(142(12)13)81-95(157)78-72(98(160)120(81,182)101(75)163)89(151)69-54(117(78,9)179)25-21-28-65(69)147)104(166)128-43-37-62-107(169)133-58(33-39-124)106(168)138-64(45-50(4)5)111(173)139-63(44-49(2)3)110(172)134-57(32-38-123)105(167)135-61(109(171)141-85(53(8)146)116(178)137-62)36-42-127-48-131-114(176)77-94(156)88(144(16)17)83-97(159)80-74(100(162)122(83,184)103(77)165)91(153)71-56(119(80,11)181)27-23-30-67(71)149/h21-23,25-30,49-53,57-64,78-88,95-97,125-127,145-149,154-162,179-184H,18-20,24,31-48,123-124H2,1-17H3,(H,128,166)(H,129,174)(H,130,175)(H,131,176)(H,132,150)(H,133,169)(H,134,172)(H,135,167)(H,136,177)(H,137,178)(H,138,168)(H,139,173)(H,140,170)(H,141,171)/t51?,52-,53-,57+,58+,59+,60+,61+,62+,63+,64-,78-,79-,80-,81-,82-,83-,84+,85+,86+,87+,88+,95+,96+,97+,117-,118-,119-,120+,121+,122+/m1/s1
InChIKeyNBDYBIZOCFXDHB-NBESSYEASA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
colimecycline (CHEBI:756326) is a polypeptide (CHEBI:15841)
INNs  Source
colimeciclinaWHO MedNet
colimecyclineWHO MedNet