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CHEBI:749136 - ang1005

Default Structure
ChEBI IDCHEBI:749136
ChEBI Nameang1005
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC257H308N32O79
Net Charge0
Average Mass5109.436
Monoisotopic Mass5106.10673
SMILES[H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](OC(=O)CCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](NC(=O)CCC(=O)O[C@@H](C(=O)O[C@H]4C[C@@]5(O)[C@@H](OC(=O)c6ccccc6)[C@]6([H])[C@]7(OC(C)=O)CO[C@]7([H])C[C@H](O)[C@@]6(C)C(=O)[C@H](OC(C)=O)C(=C4C)C5(C)C)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)O[C@@H](C(=O)O[C@H]4C[C@@]5(O)[C@@H](OC(=O)c6ccccc6)[C@]6([H])[C@]7(OC(C)=O)CO[C@]7([H])C[C@H](O)[C@@]6(C)C(=O)[C@H](OC(C)=O)C(=C4C)C5(C)C)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)O)[C@@H](C)O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@@]1([H])OC[C@@]21OC(C)=O)C3(C)C
InChIInChI=1S/C257H308N32O79/c1-133-174(123-255(348)216(363-238(342)155-81-51-30-52-82-155)210-249(18,177(301)120-180-252(210,130-351-180)366-141(9)296)213(319)204(354-138(6)293)196(133)246(255,12)13)357-241(345)207(201(149-69-39-24-40-70-149)287-219(322)152-75-45-27-46-76-152)360-193(316)106-101-185(306)264-109-59-57-87-161(271-190(311)128-270-222(325)160(89-61-111-266-244(260)261)273-234(337)173(129-290)272-189(310)127-268-188(309)126-269-223(326)166(116-147-91-95-158(299)96-92-147)278-230(333)168(114-145-65-35-22-36-66-145)279-231(334)169(115-146-67-37-23-38-68-146)283-235(338)199(136(4)291)285-187(308)103-108-195(318)362-209(203(151-73-43-26-44-74-151)289-221(324)154-79-49-29-50-80-154)243(347)359-176-125-257(350)218(365-240(344)157-85-55-32-56-86-157)212-251(20,179(303)122-182-254(212,132-353-182)368-143(11)298)215(321)206(356-140(8)295)198(135(176)3)248(257,16)17)224(327)274-163(90-62-112-267-245(262)263)225(328)281-170(118-183(258)304)233(336)282-171(119-184(259)305)232(335)280-167(113-144-63-33-21-34-64-144)229(332)275-162(228(331)286-200(137(5)292)236(339)277-165(100-105-192(314)315)226(329)276-164(99-104-191(312)313)227(330)284-172(237(340)341)117-148-93-97-159(300)98-94-148)88-58-60-110-265-186(307)102-107-194(317)361-208(202(150-71-41-25-42-72-150)288-220(323)153-77-47-28-48-78-153)242(346)358-175-124-256(349)217(364-239(343)156-83-53-31-54-84-156)211-250(19,178(302)121-181-253(211,131-352-181)367-142(10)297)214(320)205(355-139(7)294)197(134(175)2)247(256,14)15/h21-56,63-86,91-98,136-137,160-182,199-212,216-218,290-292,299-303,348-350H,57-62,87-90,99-132H2,1-20H3,(H2,258,304)(H2,259,305)(H,264,306)(H,265,307)(H,268,309)(H,269,326)(H,270,325)(H,271,311)(H,272,310)(H,273,337)(H,274,327)(H,275,332)(H,276,329)(H,277,339)(H,278,333)(H,279,334)(H,280,335)(H,281,328)(H,282,336)(H,283,338)(H,284,330)(H,285,308)(H,286,331)(H,287,322)(H,288,323)(H,289,324)(H,312,313)(H,314,315)(H,340,341)(H4,260,261,266)(H4,262,263,267)/t136?,137-,160+,161+,162+,163+,164+,165+,166+,167+,168+,169+,170+,171+,172+,173+,174+,175+,176+,177+,178+,179+,180-,181-,182-,199+,200+,201+,202+,203+,204-,205-,206-,207-,208-,209-,210+,211+,212+,216+,217+,218+,249-,250-,251-,252+,253+,254+,255-,256-,257-/m1/s1
InChIKeyGBVKRUOMSUTVPW-AHNVSIPUSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
ang1005 (CHEBI:749136) has role antineoplastic agent (CHEBI:35610)
ang1005 (CHEBI:749136) is a polypeptide (CHEBI:15841)
INNs  Source
paclitaxel trevatidaWHO MedNet
paclitaxel trevatideWHO MedNet
Synonyms  Source
ANG-1005ChEMBL
ANG1005ChEMBL
Citations