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CHEBI:208926 - Humidimycin

ChEBI IDCHEBI:208926
ChEBI NameHumidimycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC98H132N22O27S4
Net Charge0
Average Mass2178.529
Monoisotopic Mass2176.85151
SMILESCC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H]2CSSC[C@@H]3NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(=O)N2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CSSC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2cc4ccccc4n2)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC3=O)NC(=O)[C@H](CO)NC(=O)CNC1=O
InChIInChI=1S/C98H132N22O27S4/c1-11-50(7)80-95(143)102-41-75(125)107-68(43-121)91(139)116-71-46-150-151-47-72(94(142)112-64(33-55-23-17-14-18-24-55)88(136)115-67(98(146)147)36-58-35-57-25-19-20-26-60(57)105-58)117-96(144)79(49(5)6)119-97(145)81(51(8)12-2)120-83(131)53(10)104-86(134)62(34-56-27-29-59(122)30-28-56)106-74(124)40-101-85(133)69-44-148-149-45-70(92(140)110-61(31-48(3)4)84(132)100-42-77(127)118-80)108-73(123)37-65(113-90(138)66(38-78(128)129)114-93(71)141)89(137)111-63(32-54-21-15-13-16-22-54)87(135)103-52(9)82(130)99-39-76(126)109-69/h13-30,35,48-53,61-72,79-81,105,121-122H,11-12,31-34,36-47H2,1-10H3,(H,99,130)(H,100,132)(H,101,133)(H,102,143)(H,103,135)(H,104,134)(H,106,124)(H,107,125)(H,108,123)(H,109,126)(H,110,140)(H,111,137)(H,112,142)(H,113,138)(H,114,141)(H,115,136)(H,116,139)(H,117,144)(H,118,127)(H,119,145)(H,120,131)(H,128,129)(H,146,147)/t50-,51-,52-,53-,61-,62+,63-,64-,65-,66-,67-,68-,69-,70+,71+,72+,79-,80-,81-/m0/s1
InChIKeyKEGZLFHRZXUETN-KUYIIAQISA-N
Species of MetaboliteComponentSourceComments
Streptomyces humidus (ncbitaxon:52259) - PubMed (26055366)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Humidimycin (CHEBI:208926) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2S)-2-[[[(1S,4S,7S,13R,19R,22S,25S,28S,31S,36S,39S,45S,51S,54S,60S)-4-benzyl-25,45-bis[(2S)-butan-2-yl]-60-(carboxymethyl)-2,5,8,11,14,17,20,23,26,29,38,41,44,47,50,53,56,59,62-nonadecahydroxy-39-(hydroxymethyl)-19-[(4-hydroxyphenyl)methyl]-7,22-dimethyl-51-(2-methylpropyl)-28-propan-2-yl-33,34,64,65-tetrathia-3,6,9,12,15,18,21,24,27,30,37,40,43,46,49,52,55,58,61-nonadecazatricyclo[34.21.5.413,54]hexahexaconta-2,5,8,11,14,17,20,23,26,29,37,40,43,46,49,52,55,58,61-nonadecaen-31-yl]-hydroxymethylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-3-(1H-indol-2-yl)propanoic acid