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CHEBI:227267 - Salinipeptin A

ChEBI IDCHEBI:227267
ChEBI NameSalinipeptin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC97H150N24O24S
Net Charge0
Average Mass2068.478
Monoisotopic Mass2067.09755
SMILESC/C=C(\NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)/C(=C/C)NC(=O)[C@H]1CCCN1C(=O)/C(=C/C)NC(=O)[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)/C(=C/C)NC(=O)[C@H](C)N(C)C)C(C)C)[C@H](C)CC)C(=O)N[C@@H](C(=O)N[C@H]1CS/C=C\NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC1=O)[C@H](C)CC
InChIInChI=1S/C97H150N24O24S/c1-21-52(13)76(95(143)114-68-48-146-43-40-100-92(140)74(50(9)10)115-86(134)65(44-49(7)8)112-89(68)137)117-84(132)60(24-4)106-88(136)67(47-122)105-73(125)46-101-82(130)63(36-38-71(98)123)111-94(142)77(53(14)22-2)118-93(141)75(51(11)12)116-87(135)66(45-58-32-28-27-29-33-58)113-85(133)64(37-39-72(99)124)110-80(128)55(16)102-78(126)54(15)103-83(131)59(23-3)107-91(139)70-35-31-42-121(70)96(144)61(25-5)108-79(127)56(17)104-90(138)69-34-30-41-120(69)97(145)62(26-6)109-81(129)57(18)119(19)20/h23-29,32-33,40,43,49-57,63-70,74-77,122H,21-22,30-31,34-39,41-42,44-48H2,1-20H3,(H2,98,123)(H2,99,124)(H,100,140)(H,101,130)(H,102,126)(H,103,131)(H,104,138)(H,105,125)(H,106,136)(H,107,139)(H,108,127)(H,109,129)(H,110,128)(H,111,142)(H,112,137)(H,113,133)(H,114,143)(H,115,134)(H,116,135)(H,117,132)(H,118,141)/b43-40-,59-23-,60-24-,61-25-,62-26-/t52-,53-,54-,55-,56-,57+,63-,64-,65+,66+,67+,68+,69-,70-,74+,75+,76-,77-/m1/s1
InChIKeyDRXQHEHUNWJTDH-PQCLXWMJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (30753052)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Salinipeptin A (CHEBI:227267) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(2R)-N-[(2S)-1-[[(2S)-1-[[(2R,3R)-1-[[(2R)-5-amino-1-[[2-[[(2S)-3-hydroxy-1-[[(Z)-1-[[(2R,3R)-3-methyl-1-[[(2Z,6S,9S,12R)-9-(2-methylpropyl)-5,8,11-trioxo-6-propan-2-yl-1-thia-4,7,10-triazacyclotridec-2-en-12-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobut-2-en-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2R)-2-[[(2R)-2-[[(Z)-2-[[(2R)-1-[(Z)-2-[[(2R)-2-[[(2R)-1-[(Z)-2-[[(2S)-2-(dimethylamino)propanoyl]amino]but-2-enoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]but-2-enoyl]pyrrolidine-2-carbonyl]amino]but-2-enoyl]amino]propanoyl]amino]propanoyl]amino]pentanediamide