CHEBI:215999 - Burhizin-23

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Burhizin-23
ChEBI ID CHEBI:215999
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C105H156N32O42
Net Charge 0
Average Mass 2538.585
Monoisotopic Mass 2537.10549
InChI InChI=1S/C105H156N32O42/c1-7-48(4)84(102(176)133-68(39-81(156)157)98(172)135-70(46-139)100(174)132-67(38-80(154)155)97(171)130-66(37-79(152)153)96(170)127-62(103(177)178)25-29-77(148)149)137-91(165)58(18-13-33-113-105(110)111)124-95(169)65(36-78(150)151)131-99(173)69(45-138)134-94(168)64(35-52-40-114-55-15-9-8-14-54(52)55)129-88(162)56(17-12-32-112-104(108)109)121-74(144)42-117-86(160)50(6)120-87(161)60(24-28-76(146)147)126-101(175)83(47(2)3)136-92(166)61-26-30-82(158)179-118-44-72(142)115-41-73(143)119-49(5)85(159)116-43-75(145)122-59(23-27-71(107)141)90(164)128-63(34-51-19-21-53(140)22-20-51)93(167)123-57(89(163)125-61)16-10-11-31-106/h8-9,14-15,19-22,40,47-50,56-70,83-84,114,118,138-140H,7,10-13,16-18,23-39,41-46,106H2,1-6H3,(H2,107,141)(H,115,142)(H,116,159)(H,117,160)(H,119,143)(H,120,161)(H,121,144)(H,122,145)(H,123,167)(H,124,169)(H,125,163)(H,126,175)(H,127,170)(H,128,164)(H,129,162)(H,130,171)(H,131,173)(H,132,174)(H,133,176)(H,134,168)(H,135,172)(H,136,166)(H,137,165)(H,146,147)(H,148,149)(H,150,151)(H,152,153)(H,154,155)(H,156,157)(H,177,178)(H4,108,109,112)(H4,110,111,113)/t48-,49-,50-,56-,57-,58-,59-,60-,61-,62-,63+,64-,65-,66-,67-,68-,69-,70-,83-,84-/m0/s1
InChIKey XCVJSGOQSVEUGH-ZCZCIGIGSA-N
SMILES O=C1N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)CC(=O)O)CC(=O)O)CO)CC(=O)O)[C@H](CC)C)CCCNC(=N)N)CC(=O)O)CO)CC=2C3=C(C=CC=C3)NC2)CCCNC(=N)N)C)CCC(=O)O)C(C)C)CCC(=O)ONCC(=O)NCC(N[C@H](C(NCC(N[C@H](C(N[C@@H]1CC4=CC=C(O)C=C4)=O)CCC(=O)N)=O)=O)C)=O)CCCCN
Metabolite of Species Details
Mycetohabitans rhizoxinica (NCBI:txid412963) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Burhizin-23 (CHEBI:215999) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(9S,15S,18R,21S,24S)-21-(4-aminobutyl)-15-(3-amino-3-oxopropyl)-18-[(4-hydroxyphenyl)methyl]-9-methyl-4,7,10,13,16,19,22,27-octaoxo-1-oxa-2,5,8,11,14,17,20,23-octazacycloheptacosane-24-carbonyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]pentanedioic acid