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CHEBI:221264 - Gausemycin B

ChEBI IDCHEBI:221264
ChEBI NameGausemycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC87H121ClN18O29
Net Charge0
Average Mass1918.475
Monoisotopic Mass1916.82354
SMILESCC(C)/C=C/C=C\C(=O)NCCC(=O)N[C@H](CCCNC(=O)CCN)C(=O)NC(CC(O)c1ccccc1)C(=O)NC(C(=O)N[C@@H](Cc1ccc(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1)C(=O)NC1C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(=O)c2ccc(Cl)cc2N)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)NC1C)C(O)CC(=O)O
InChIInChI=1S/C87H121ClN18O29/c1-43(2)14-10-11-19-65(112)92-30-27-67(114)97-53(17-12-29-91-66(113)26-28-89)78(125)100-57(35-61(108)48-15-8-7-9-16-48)82(129)105-73(63(110)38-71(119)120)85(132)103-55(33-47-20-23-50(24-21-47)135-87-75(122)74(121)64(111)42-134-87)81(128)104-72-45(5)95-83(130)60-18-13-31-106(60)86(133)46(6)96-79(126)56(36-62(109)51-25-22-49(88)34-52(51)90)98-68(115)39-94-77(124)59(41-107)99-69(116)40-93-76(123)58(37-70(117)118)101-80(127)54(32-44(3)4)102-84(72)131/h7-11,14-16,19-25,34,43-46,53-61,63-64,72-75,87,107-108,110-111,121-122H,12-13,17-18,26-33,35-42,89-90H2,1-6H3,(H,91,113)(H,92,112)(H,93,123)(H,94,124)(H,95,130)(H,96,126)(H,97,114)(H,98,115)(H,99,116)(H,100,125)(H,101,127)(H,102,131)(H,103,132)(H,104,128)(H,105,129)(H,117,118)(H,119,120)/b14-10+,19-11-/t45?,46-,53+,54+,55-,56-,57?,58-,59-,60-,61?,63?,64-,72?,73?,74-,75+,87-/m0/s1
InChIKeyZSGBYOOWDWUSGB-ULKWOHBESA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1002/anie.202104528)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Gausemycin B (CHEBI:221264) is a peptide (CHEBI:16670)